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Proceedings, 2024, IECBM 2024

The 3rd International Electronic Conference on Biomolecules

Online | 23–25 April 2024

Volume Editor:
Vladimir N. Uversky, University of South Florida, USA

Number of Papers: 89
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Cover Story (view full-size image): This volume presents a collection of accepted abstracts from the 3rd International Electronic Conference on Biomolecules held on 23–25 April 2024. This virtual conference offers biomolecular [...] Read more.
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150 KiB  
Abstract
S100A8 Interaction with Amyloid-β Peptide Suppresses Its Fibrillation
by Ekaterina Litus, Marina Shevelyova, Alisa Vologzhannikova, Evgenia Deryusheva, Ekaterina Nemashkalova, Andrey Machulin, Aliya Nazipova, Maria Permyakova and Sergey Permyakov
Proceedings 2024, 103(1), 1; https://doi.org/10.3390/proceedings2024103001 - 12 Apr 2024
Viewed by 408
Abstract
S100A8 protein belongs to the EF-hand family of calcium-binding proteins and is involved in inflammatory processes, immune response, and the pathogenesis of neurodegenerative diseases, including Alzheimer’s disease (AD) [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
129 KiB  
Abstract
Evaluating Kanchner Guggulu’s Therapeutic Potential in Polycystic Ovary Syndrome: A Comprehensive Approach with Network Pharmacology, Transcriptomics, Docking, and MD Simulation
by Subhajit Ghosh, Atanu Maity, Bratati Roy and Subarna Thakur
Proceedings 2024, 103(1), 2; https://doi.org/10.3390/proceedings2024103002 - 12 Apr 2024
Viewed by 656
Abstract
Kanchnar Guggulu (KG) is a potent Ayurvedic remedy for hormonal imbalances, PCOS, ulcers, cystic swelling, and tumors [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
126 KiB  
Abstract
Bioinformatic Profiling of miRNAs in Coronary Artery Disease: Insights into Atherosclerosis and Inflammation
by Ayesha Jabeen
Proceedings 2024, 103(1), 3; https://doi.org/10.3390/proceedings2024103003 - 12 Apr 2024
Viewed by 297
Abstract
Coronary artery disease (CAD) stands as the predominant global cause of mortality [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
124 KiB  
Abstract
Unraveling Structural Wonders: Recent Advances in Biomolecular Structures
by Ujban Hussain, Samiksha Sandeep Tammewar and Abhijeet Chalkhor
Proceedings 2024, 103(1), 4; https://doi.org/10.3390/proceedings2024103004 - 12 Apr 2024
Viewed by 388
Abstract
Introduction: Biomolecular structures play a role in the functioning of cells, controlling the processes that sustain life. This review embarks on a journey through recent advances in biomolecular structural studies, exploring the profound impact of cutting-edge techniques on unraveling the mysteries encoded within [...] Read more.
Introduction: Biomolecular structures play a role in the functioning of cells, controlling the processes that sustain life. This review embarks on a journey through recent advances in biomolecular structural studies, exploring the profound impact of cutting-edge techniques on unraveling the mysteries encoded within these molecular entities. Methods: This review explores the range of techniques used to determine molecular structures. X-ray crystallography, known for its atomic-level detail, is complemented by NMR spectroscopy, which provides insights into the behavior of molecules. The emergence of cryo electron microscopy has further expanded our abilities, allowing us to visualize assemblies of molecules with unprecedented clarity. Result: Exciting breakthroughs in structural molecular studies have revealed transformative insights. From capturing the actions of enzymes to understanding how membrane proteins are arranged in space, these discoveries have revolutionized our understanding of biological processes. The results section highlights findings that emphasize the importance of these advancements. Conclusions: The synthesis of knowledge is propelling biomolecular research into a new era. These groundbreaking revelations not contribute to our understanding but also have practical implications that can make a difference in various applications. This review concludes by emphasizing the pivotal role of biomolecular structures in shaping the trajectory of scientific inquiry, opening unprecedented avenues for exploration and application. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
144 KiB  
Abstract
Innovative Hydrogels with Silver Nanoparticles: Synthesis and Applications
by Katarzyna Sala, Magdalena Bańkosz, Anna Sobusiak, Claudia Garbowska, Magdalena Kędzierska and Bozena Tyliszczak
Proceedings 2024, 103(1), 5; https://doi.org/10.3390/proceedings2024103005 - 12 Apr 2024
Viewed by 325
Abstract
Recent years have seen significant progress in the field of hydrogel materials, especially in terms of their modification with silver nanoparticles [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
138 KiB  
Abstract
Role of Clitoria ternatea (Butterfly Pea) Flower in Endometriosis and Related Pain: A Network Pharmacology-Based Investigation and Experimental Validation
by Najneen Ahmed, Parisa Tamannur Rashid, Nazifa Tabassum and Basrat Jahan Deea
Proceedings 2024, 103(1), 6; https://doi.org/10.3390/proceedings2024103006 - 12 Apr 2024
Cited by 1 | Viewed by 665
Abstract
This study explored the potential role of Clitoria ternatea (CT) flower in ameliorating endometrial pain (EP) through network pharmacology and experimental approaches. Phytochemicals of the CT flower were listed from the literature and databases, and 18 suitable actives were screened for bioavailability and [...] Read more.
This study explored the potential role of Clitoria ternatea (CT) flower in ameliorating endometrial pain (EP) through network pharmacology and experimental approaches. Phytochemicals of the CT flower were listed from the literature and databases, and 18 suitable actives were screened for bioavailability and drug likeness parameters using SwissADME. For these actives, 279 exclusive target genes were predicted using SwissTargetPrediction. Additionally, 939 exclusive genes for EP were acquired from the DisGenet and GeneCards databases. Ninety-one overlapping gene targets of CT and EP were listed, for which a Protein–Protein Interaction (PPI) network was constructed using STRING. The top three node proteins (SRC, ESR1, and PI3KR1) in the PPI network were identified through Cytoscape (version 3.9.1). Molecular docking analysis of the eighteen actives with the three target proteins showed strong binding interactions of Flavylium, kaempherol, and quercetin with all the targets, suggesting their involvement in EP relief. In addition, Gene Ontology (GO) functions analysis revealed 320 biological processes, 59 cellular components, and 107 molecular functions were enriched with the target genes. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses identified 106 KEGG pathways, including steroid hormone biosynthesis, endocrine resistance, and endometrial cancer pathways, which were significantly enriched with the target genes. The anti-inflammatory and analgesic effects of CT’s methanolic extract (ME) were investigated through in vitro and in vivo assays. The ME exhibited 91.47% inhibition of heat-induced hemolysis compared to 92.87% by aspirin in the in vitro membrane stabilizing assay. The in vivo carrageenan-induced paw edema study revealed 65.28% inhibition of paw edema by ME compared to 80.38% inhibition by aceclofenac at the end of 4-h treatment. The in vivo acetic acid-induced writhing test demonstrated analgesia by ME by 75.6% inhibition of writhing compared to 77.49% by aceclofenac. These findings suggest CT flower could be a potential natural remedy for EP, warranting further investigation in future studies. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
129 KiB  
Abstract
Harmony in Complexity: Navigating the Symphony of Biomolecular Interactions and Networks
by Ujban Md. Hussain Hussain, Samiksha Sandeep Tammewar, Hrushikesh Ramkrushn Ghotkar and Sameer Ramesh Lode
Proceedings 2024, 103(1), 7; https://doi.org/10.3390/proceedings2024103007 - 12 Apr 2024
Viewed by 357
Abstract
Embark on a journey into the captivating world of Biomolecular Interactions and Networks with this innovative review, where science meets artistry. Our exploration transcends traditional boundaries, weaving together the rhythmic dance of protein–protein interactions, the dynamic melodies of signaling pathways, and the harmonious [...] Read more.
Embark on a journey into the captivating world of Biomolecular Interactions and Networks with this innovative review, where science meets artistry. Our exploration transcends traditional boundaries, weaving together the rhythmic dance of protein–protein interactions, the dynamic melodies of signaling pathways, and the harmonious integration of omics data. In this entrancing introduction, we cast a spotlight on the grand stage where biomolecular interactions unfold, emphasizing their role as the orchestrators of cellular symphonies. We invite readers to join us on this vibrant expedition, celebrating the intricacies that shape life at the molecular level. Our methodological voyage is nothing short of groundbreaking. Imagine peering into the secret conversations of proteins through avant-garde techniques like yeast two-hybrid screens and mass spectrometry, unveiling a kaleidoscope of connections. Visualize the heartbeat of cells captured in real-time with cutting-edge live-cell imaging, and witness the integration of omics data as we decipher the code of cellular communication through computational masterpieces. The stage is set, and the results are a breathtaking fusion of science and art. Recent revelations paint a vivid canvas of protein–protein interactions, each stroke revealing a new chapter in the biomolecular narrative. Live-cell imaging adds dynamic hues to our understanding of signaling pathways, while the integration of omics data unfolds intricate networks reminiscent of a cosmic tapestry. As the curtains fall, we arrive at a crescendo of knowledge. This review not only encapsulates the current state of Biomolecular Interactions and Networks but also propels us into the future of collaborative discovery. Join us in decoding the symphony of life, where the language of cells becomes a universal melody with transformative potential for both scientific understanding and targeted therapeutic innovations. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
151 KiB  
Abstract
Genetic Variant Screening and Association Study of NKX2-5 in Congenital Heart Disease Patients from North India
by Shadab Ahamad, Prachi Kukshal, Ajay Kumar and Subramanian Chellappan
Proceedings 2024, 103(1), 8; https://doi.org/10.3390/proceedings2024103008 - 12 Apr 2024
Viewed by 364
Abstract
Background: Globally, 1% of all live births are affected by some form of congenital heart defects (CHDs) [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
125 KiB  
Abstract
Complex DNA Nanomachines for the Ultrasensitive Detection of Ribonucleic Acids
by Margarita Kuzina, Victoria Khorolskaya and Maria Rubel
Proceedings 2024, 103(1), 9; https://doi.org/10.3390/proceedings2024103009 - 12 Apr 2024
Viewed by 319
Abstract
DNA nanomachines were developed as highly accurate alternatives to costly and unreliable methods used for measuring gene expression levels [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 140 KiB  
Abstract
Elucidation of Molecular Mechanisms of Vanda roxburghii (Family: Orchidaceae) in the Treatment of Alzheimer’s Disease Utilizing Network Pharmacological Analysis
by Nazifa Tabassum, Najneen Ahmed and Parisa Tamannur Rashid
Proceedings 2024, 103(1), 10; https://doi.org/10.3390/proceedings2024103010 - 12 Apr 2024
Viewed by 385
Abstract
Vanda roxburghii (VR), a native medicinal plant in Bangladesh belonging to the Orchidaceae family, has been previously reported to be effective against Alzheimer’s disease (AD). This study aimed to investigate the potential mechanism of the phytoconstituents of VR against AD using network pharmacology [...] Read more.
Vanda roxburghii (VR), a native medicinal plant in Bangladesh belonging to the Orchidaceae family, has been previously reported to be effective against Alzheimer’s disease (AD). This study aimed to investigate the potential mechanism of the phytoconstituents of VR against AD using network pharmacology and molecular docking analysis. The phytoconstituents of VR were listed from several databases and their blood–brain barrier (BBB) permeability was predicted using SwissADME. Targets of the BBB permeable actives were predicted using SwissTargetPrediction and Similarity Ensemble Approach databases. The putative genes responsible for AD were obtained from GeneCards and DisGenet databases. The common targets for both VR and AD were scrutinized for how the protein–protein interaction (PPI) network was constructed using STRING (version 12.0) and how the core protein targets were identified using Cytoscape (version 3.10.1). Gene ontology (GO) functions and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed on the target genes using DAVID 6.8. Finally, the binding interactions between the phytochemicals and targets of AD were validated by molecular docking using PyRx (version 0.8). In total, 4 phytochemicals with 328 exclusive target genes were predicted to cross the BBB. Moreover, 1046 exclusive disease targets for AD were identified and 103 shared targets of VR and AD were acquired. From the PPI network, 5 targets with higher possibilities of therapeutic activity rates of VR on AD were obtained. Furthermore, 428 biological processes, 82 cellular components, and 98 molecular functions were enriched with GO functions, and 144 KEGG pathways (including Alzheimer’s disease, apoptosis, and endocrine resistance pathways) were found enriched for VR associated with anti-AD activities and were analyzed. Molecular docking analysis further verified the definite binding capacity of the four actives with the five target proteins (APP, JUN, ESR1, MAPK1, and MAPK3) involved in the significant KEGG pathways and GO functions. Our findings provide directions for further research on the phytochemicals of VR. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
126 KiB  
Abstract
The Lysozyme Interaction with ZnONP Induces Structural Heterogeneity: A Thermodynamic-Based Approach
by Monalisha Ojha and Suman Jha
Proceedings 2024, 103(1), 11; https://doi.org/10.3390/proceedings2024103011 - 12 Apr 2024
Viewed by 286
Abstract
Protein is an important biomolecule that needs to maintain 3D (three-dimensional) dynamic structure in respective physiological conditions in order for homeostasis to be maintained in an organism [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
135 KiB  
Abstract
Chloroplast Control Mechanisms by Molecular Electronic Device
by Yuri Shapovalov and Lyazzat Gumarova
Proceedings 2024, 103(1), 12; https://doi.org/10.3390/proceedings2024103012 - 12 Apr 2024
Viewed by 230
Abstract
The aim of this research is to study the light phase of photosynthesis based on X-ray diffraction data from photosystems I and II (PS-I and PS-II), as well as the molecular structures of solar energy conversion and electron flow control systems [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
123 KiB  
Abstract
Exploring Carbendazim–Aptamer Interactions via In Silico Modeling and Molecular Dynamics Simulations
by Ajay Yadav and Hariprasad Puttaswamy
Proceedings 2024, 103(1), 13; https://doi.org/10.3390/proceedings2024103013 - 12 Apr 2024
Viewed by 258
Abstract
Carbendazim (CBZ), a systemic fungicide, has been found in a variety of food and feed products, agricultural soil, and water bodies, raising concerns about its possible environmental and organismal effects [...].  Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
134 KiB  
Abstract
The Comparison of Physicochemical Properties of Chitosan/Silk Fibroin/Collagen-Based Materials Cross-Linked with Chemical Agents
by Sylwia Grabska-Zielińska and Alina Sionkowska
Proceedings 2024, 103(1), 14; https://doi.org/10.3390/proceedings2024103014 - 12 Apr 2024
Viewed by 331
Abstract
Interest in biomaterials based on natural polymers has recently surged [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
124 KiB  
Abstract
Understanding Limbic-Predominant Age-Related TDP-43 Encephalopathy (LATE): The Intersection of Pathology and Immune Dysregulation
by Mansi Singh and Sanjesh Kumar
Proceedings 2024, 103(1), 15; https://doi.org/10.3390/proceedings2024103015 - 12 Apr 2024
Viewed by 287
Abstract
Introduction: In the present state, a novel amnesic and AD-like dementia pathology emerges in the ageing brains, namely Limbic-predominant age-related TDP-43 encephalopathy (LATE) [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
136 KiB  
Abstract
Dityrosine-Mediated Inhibition of α-Synuclein Fibrillation Using Photocatalytic Nanoparticles
by Sonali Jena and Suman Jha
Proceedings 2024, 103(1), 16; https://doi.org/10.3390/proceedings2024103016 - 12 Apr 2024
Viewed by 331
Abstract
Parkinson’s disease (PD) is a progressive neurodegenerative disorder characterized by the degeneration of dopaminergic neurons and the abnormal accumulation of alpha-synuclein (α-syn) aggregates or Lewy bodies in the substantial nigra of the brain [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 129 KiB  
Abstract
Exploring the Role of N-WASP in Breast Cancer Metastasis through Mass Spectrometry and Potential Signalling Pathway Analysis
by Rhiannon Yannan Yu, Wenguo Jiang and Tracey Martin
Proceedings 2024, 103(1), 17; https://doi.org/10.3390/proceedings2024103017 - 12 Apr 2024
Viewed by 447
Abstract
Background: Neural Wiskott–Aldrich Syndrome Protein (N-WASP) is a key regulator of the actin cytoskeleton and is implicated in various cellular processes, including cell motility and invasion. In cancer biology, the role of N-WASP in cell motility and metastasis is of particular interest, yet [...] Read more.
Background: Neural Wiskott–Aldrich Syndrome Protein (N-WASP) is a key regulator of the actin cytoskeleton and is implicated in various cellular processes, including cell motility and invasion. In cancer biology, the role of N-WASP in cell motility and metastasis is of particular interest, yet its specific functions in breast cancer remain to be fully understood. Method: To investigate the impact of N-WASP on breast cancer cell behaviour, we employed siRNA to knock down N-WASP expression in the MDA-MB-231 breast cancer cell line. After the knockdown, proteomic changes in the cells were analysed using mass spectrometry. Notable alterations in the genes present in both total and phosphorylated proteins were further analysed. Results: The proteomic data analysis ranked 50 genes that exhibited the most up-regulation and down-regulation in total and phosphorylated proteins. These 200 genes were further examined using the REACTOME database to identify affected signalling pathways. Knockdown of N-WASP led to significant changes in the RHOD, RHOF, and RHOG GTPase cycles (p = 0.015, p = 0.01, and p = 0.027), pathways closely associated with cell motility and actin cytoskeleton organisation. These cycles are crucial in modulating cellular dynamics, impacting a range of processes from immune response to neuronal development, wound healing, and, particularly, cancer metastasis. Furthermore, the findings highlighted the role of non-integrin membrane–ECM interactions in cell motility and cytoskeleton dynamics (p = 0.021). The altered protein expression patterns suggest a link between N-WASP, non-integrin membrane–ECM interactions, and the cytoskeletal changes essential for cell migration and invasion—key factors in cancer metastasis. Conclusions: Our findings reinforce the critical role of N-WASP in regulating the cytoskeleton and influencing cell motility, invasion, and metastasis in breast cancer. This study not only provides deeper insights into the molecular mechanism of breast cancer progression but also highlights N-WASP as a potential therapeutic target for intervention strategies in breast cancer treatment. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
127 KiB  
Abstract
Cathepsin B-Induced Degradation of Lysozyme Amyloid Fibrils
by Maksim I. Sulatsky, Olga V. Stepanenko, Olesya V. Stepanenko, Ekaterina V. Mikhailova and Anna I. Sulatskaya
Proceedings 2024, 103(1), 18; https://doi.org/10.3390/proceedings2024103018 - 12 Apr 2024
Viewed by 314
Abstract
Diseases associated with the accumulation of ordered protein aggregates, amyloid fibrils, once thought to be rare, are predicted to soon become epidemics [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 128 KiB  
Abstract
Integrated Analysis of Glioblastoma: Unravelling Molecular Signatures across Diverse Datasets for Enhanced Diagnosis
by Ezenwalie Ifechukwudelu Ezenwalie
Proceedings 2024, 103(1), 19; https://doi.org/10.3390/proceedings2024103019 - 12 Apr 2024
Viewed by 280
Abstract
Glioblastoma Multiforme (GBM) presents significant diagnostic and therapeutic challenges due to its complex molecular pathogenesis [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
127 KiB  
Abstract
In Silico Prediction of Drug-Likeness, Pharmacokinetics, and Toxicity of Selected Phytotoxic Pyrrolizidine Alkaloids
by Obinna Kenneth Didigwu, Emmanuel Amuchechukwu Kevin, Michael Osita Edeh and Sunday N. Okafor
Proceedings 2024, 103(1), 20; https://doi.org/10.3390/proceedings2024103020 - 12 Apr 2024
Viewed by 344
Abstract
Pyrrolizidine alkaloids (PAs) are heterocyclic organic compounds of natural origin synthesized by either plants or microorganisms [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
1 pages, 137 KiB  
Abstract
High Endomucin Expression Correlates with a Favorable Immune Landscape and Improved Survival in Clear-Cell Renal Cell Carcinoma (ccRCC)
by Abdulmalek Abu Zahra
Proceedings 2024, 103(1), 21; https://doi.org/10.3390/proceedings2024103021 - 12 Apr 2024
Viewed by 410
Abstract
Endomucin (EMCN) contributes to both cell adhesion and signaling processes, thereby participating in the modulation of immune responses within the vasculature. In this study, we uncover how EMCN modulates the tumor immune microenvironment in clear-cell renal cell carcinoma (ccRCC). The Cancer Genome Atlas [...] Read more.
Endomucin (EMCN) contributes to both cell adhesion and signaling processes, thereby participating in the modulation of immune responses within the vasculature. In this study, we uncover how EMCN modulates the tumor immune microenvironment in clear-cell renal cell carcinoma (ccRCC). The Cancer Genome Atlas (TCGA) was used to obtain clinicopathological and expression data on KIRC. The prognostic significance of EMCN expression in ccRCC was assessed through univariate analysis. DNMIVD was used to investigate the methylation status of EMCN in tumor and normal adjacent tissue (NAT). TCGExplorer was utilized to employ GSEA to identify pathways enriched by the high or low expression of EMCN. Hallmark Gene sets from MSigDB were utilized. The immune microenvironment was evaluated using the Tumor IMmune Estimation Resource (TIMER 2.0). High EMCN expression was associated with heightened overall survival and better survival (HR: 0.60, 95% CI: 0.52–0.68, p < 0.0001) in the TCGA ccRCC cohort. The promoter region of EMCN was hypermethylated in tumor tissue, in contrast to normal adjacent tissue, with an increased beta value of 0.13715 (p < 0.001) associated with decreased expression of EMCN in tumor tissue compared to NAT. The top three enriched GSEA terms when EMCN was highly expressed were hallmark_TGF_beta_signaling, KRAS_signalling_up, and Apical_junction. In contrast, when the expression of EMCN was low, E2F_targets, Oxidative_phosphorylation, and MYC_targets_v2 were the top terms. EMCN expression was positively correlated with resting memory CD4+T cells (ρ = 0.217, p = 2.68e−6), naïve B cells (ρ = 0.273, p = 2.43e−9), plasma B cells (ρ = 0.158, p = 6.73e−4), M1 macrophages (ρ = 0.167, p = 3.05e−4), Monocytes (ρ = 0.29, p = 2.17e−10), resting NK cells (ρ = 0.208, p = 6.39e−6), activated mast cells (ρ = 0.373, p = 1.05e−16), and M2 macrophages (ρ = 0.127, p = 6.45e−3). It correlated negatively with Tregs (ρ = −0.349, p = 1.23e−14), activated memory CD4+ T cells (ρ = −0.17, p = 2.42e−4), follicular helper T cells (ρ = −0.209, p = 6.20e−6), neutrophils (ρ = −0.101, p = 3.07e−2), M0 macrophages (ρ = −0.333, p = 2.15e−13), and memory B cells (ρ = −0.217, p = 2.53e−6). Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
126 KiB  
Abstract
Therapeutic Strategies for Chromium-Induced Neurotoxicity: Exploiting NPTX2 and Autophagy Pathways in CNS Cells
by Sanjesh Kumar and Mansi Singh
Proceedings 2024, 103(1), 22; https://doi.org/10.3390/proceedings2024103022 - 12 Apr 2024
Viewed by 274
Abstract
Introduction: Chromium is the most prevalent metal present on earth in two valence states: hexavalent [Cr(VI)] and trivalent [Cr(III)] [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
1 pages, 125 KiB  
Abstract
A Computational Study on Gold and Silver Nanoparticles against SARS-CoV-2 Proteins
by Ilyes Zatla and Lamia Boublenza
Proceedings 2024, 103(1), 23; https://doi.org/10.3390/proceedings2024103023 - 12 Apr 2024
Viewed by 445
Abstract
Metallic nanoparticles, such as gold and silver nanoparticles, are extraordinarily small particles composed of metal atoms at the nanoscale, typically ranging in size from 1 to 100 nanometers. These nanoparticles possess a plethora of unique and invaluable properties owing to their diminutive size, [...] Read more.
Metallic nanoparticles, such as gold and silver nanoparticles, are extraordinarily small particles composed of metal atoms at the nanoscale, typically ranging in size from 1 to 100 nanometers. These nanoparticles possess a plethora of unique and invaluable properties owing to their diminutive size, their exceptionally high surface-area-to-volume ratio, and the emergence of quantum effects at this scale. In this research, a computational simulation was conducted to explore the structural configurations of both silver nanoparticles (AgNPs) and gold nanoparticles (AuNPs). Subsequently, geometry optimization techniques were applied to refine these structures. The optimized nanoparticle configurations were then systematically evaluated for their potential interactions with three specific targets within the SARS-CoV-2 virus: the Main protease (Mpro), the RNA-dependent RNA polymerase (RdRp), and the S spike glycoprotein. Notably, the results revealed that both AgNPs and AuNPs exhibited remarkable affinities for the active pockets of SARS-CoV-2 Mpro, suggesting their potential utility as inhibitors for this critical viral protein. Intriguingly, when considering RdRp, AgNPs displayed superior binding affinity compared to AuNPs, indicating their specific potential in targeting this component of the virus. Conversely, when assessing their interactions with the S spike glycoprotein, AuNPs demonstrated greater binding affinities than AgNPs, with more pocket residues being involved in this interaction. The versatility of gold and silver nanoparticles extends far beyond virology, as these materials find applications in diverse fields, including medicine, electronics, and environmental remediation. The findings presented here underscore their potential as versatile antiviral agents, providing a promising avenue for further in vitro and in vivo research to explore their efficacy in inhibiting the replication of the SARS-CoV-2 virus. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
140 KiB  
Abstract
Production of Antibodies Binding Murine Nuclear PD-L1
by Valentina Kostenko, Alina Makarova, Elena Svirshchevskaya, Roman Kholodenko, Dmitry Ryazantsev and Ekaterina Ryabukhina
Proceedings 2024, 103(1), 24; https://doi.org/10.3390/proceedings2024103024 - 12 Apr 2024
Viewed by 365
Abstract
PD1/PD-L1 antibody therapy is used in the clinic (atezolizumab, avelumab, durvalumab), but its effect is ambiguous, both in patients and in mouse models. The purpose of this work was to analyze the binding of commercial and laboratory-obtained monoclonal antibodies to PD-L1. Previously, we [...] Read more.
PD1/PD-L1 antibody therapy is used in the clinic (atezolizumab, avelumab, durvalumab), but its effect is ambiguous, both in patients and in mouse models. The purpose of this work was to analyze the binding of commercial and laboratory-obtained monoclonal antibodies to PD-L1. Previously, we obtained monoclonal antibodies (clone B12) to the extracellular fragment of murine PD-L1 expressed in E. Coli (exPD-L1). The primary screening of monoclonal antibodies by flow cytometry showed a low B12 binding compared to commercial antibodies. Cytokine-stimulated 3D cultures, permeabilized cells, and Western blotting were used to elucidate the causes of low binding on living cells. The permeabilization of cells B16/F10 (mouse melanoma), EL-4 (mouse lymphoma), and COLO357 (human pancreatic cancer) showed the binding of both mouse and human B12 PD-L1 antibodies. With the help of Western blotting, these data were confirmed. However, commercial antibodies (BioLegend, clone 10F.9G2) in this method did not bind to the mouse recombinant exPD-L1 protein, but bound to cell lysates. Cell cultivation on an anti-adhesive polyHEMA substrate led to the binding of B12 antibodies to the surface of cells under 3D cultivation conditions. The stimulation of EL-4 and B16/F10 cells in 3D cultures and subsequent incubation with Cy3-labeled B12 antibodies led to the appearance of pronounced fluorescence in the perinuclear region of cells. Thus, the obtained monoclonal antibodies to mouse exPD-L1 are cross-reactive with human PD-L1 protein; PD-L1 protein translocates to the cell membrane when cultured under 3D conditions into the nucleus and, when stimulated by cytokines, its biosynthesis is activated. The difference in the binding of antibodies B12 and 10F.9G2 may indicate a difference in the conformation of PD-L1 translocated to the membrane. The traffic of intracellular PD-L1 into the nucleus upon activation may indicate the launch of de novo protein synthesis with an altered conformation. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 128 KiB  
Abstract
A Model and Genomic Evidence for Sequence-Specific Chromatin Folding
by Ivan Savelev, Aleksandr V. Vikhorev, Oksana Polesskaya, Richard A. Miller, Michael M. Rempel, Alexandre A. Vetcher and Max Myakishev-Rempel
Proceedings 2024, 103(1), 25; https://doi.org/10.3390/proceedings2024103025 - 12 Apr 2024
Viewed by 352
Abstract
The current study introduces a model in which the DNA sequence influences the structure of surrounding water in the nucleoplasm, proposing a mechanism where DNA’s molecular structure imprints some of itself on surrounding water clusters during a continuous dynamic chromatin reorganization process within [...] Read more.
The current study introduces a model in which the DNA sequence influences the structure of surrounding water in the nucleoplasm, proposing a mechanism where DNA’s molecular structure imprints some of itself on surrounding water clusters during a continuous dynamic chromatin reorganization process within the cell nucleus [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
1 pages, 158 KiB  
Abstract
Determination of the Best Conditions to Produce the Enzyme Chitinase by the Fungus Beauveria bassiana 
by Rafaela Regina Fantatto, Rodrigo Sorrechia, Barbara Regina Kapp, Alexandra Barrios Eguiluz and Rosemeire Linhari Rodrigues Pietro
Proceedings 2024, 103(1), 26; https://doi.org/10.3390/proceedings2024103026 - 26 Jun 2024
Viewed by 1049
Abstract
Chitinases, enzymes produced by diverse organisms like bacteria, fungi, insects, plants, and humans, play a crucial role in degrading the biopolymer chitin. They have wide-ranging applications, including abilities to isolate protoplasts from fungi, control pathogenic fungi, treat chitinous waste, and manage disease transmission [...] Read more.
Chitinases, enzymes produced by diverse organisms like bacteria, fungi, insects, plants, and humans, play a crucial role in degrading the biopolymer chitin. They have wide-ranging applications, including abilities to isolate protoplasts from fungi, control pathogenic fungi, treat chitinous waste, and manage disease transmission viinsects due to their chitin-degrading ability. This study focused on determining optimal conditions for chitinase production using the fungus Beauveria bassiana, acknowledging the enzyme’s significant importance. The strain employed was B. bassiana 487 from Embrapa, registered in the ARSEF database. Three media (Hill, Adams, and Medium 2) were assessed with or without shrimp exoskeletons as an inducer over a 10-day period. Initial fermentation conditions included a pH of 5.5, a temperature of 28 °C, stirring at 120 rpm, and an inoculum size of 107 cells/mL. Production and enzymatic activity were evaluated, monitored for 7 days, with the tenth day dedicated to identifying optimal production conditions. Medium 2 demonstrated superior production when supplemented with the inducer, reaching its peak on the seventh day. Following the medium selection, chitinase enzymatic activity in Medium 2 with the inducer was assessed. Until the eighth day, B. bassiana 487 showed low enzyme production, with an enzymatic activity of 6.08 nmol/mL.min. A significant increase occurred on the ninth day, reaching 348.94 nmol/mL.min. High activity persisted on the tenth and eleventh days, with values of 302.45 and 264.59 nmol/mL.min, respectively. In conclusion, for enhanced chitinase production by B. bassiana 487, we recommend using Medium 2 over a 10-day fermentation period under suitable conditions. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
1 pages, 128 KiB  
Abstract
Ex Vivo Analysis of Various Herb–Drug Interactions and Their Effects on Metronidazole Absorption
by Ujban Hussain and Samiksha Sandeep Tammewar
Proceedings 2024, 103(1), 27; https://doi.org/10.3390/proceedings2024103027 - 12 Apr 2024
Viewed by 330
Abstract
Aim: 1. To study the effect of food, drink, or pharmaceuticals on the action of drugs; 2. To study the result of interactions between medication molecules and secondary targets; 3. To study the effect of herbal extracts on drug absorption. Objectives: 1. To [...] Read more.
Aim: 1. To study the effect of food, drink, or pharmaceuticals on the action of drugs; 2. To study the result of interactions between medication molecules and secondary targets; 3. To study the effect of herbal extracts on drug absorption. Objectives: 1. To identify the effects of different herbal extracts on the absorption of metronidazole; 2. To study in vitro and in situ herb–drug interactions; 3. To study the effect of different herbal extracts on the absorption of metronidazole. Methodology: Take a sufficient amount of cold thyroid solution, place it in a Petri dish, transfer the ileum to it using forceps, and tie one end through the intestinal sac to a double-looped knot of a moistened thread. Fill a syringe with metronidazole alone or in combination with a herbal extract. Put the intestinal sac in a beaker, stir, take samples of the solution at particular time intervals, and assess the absorption of metronidazole. Results and Discussion: Metronidazole is used as a treatment for amoebiasis or related diarrhea-like conditions which are also treated with home remedies like asafoetida, ginger, and lemon juice, given to the patient to correct electrolyte imbalances. However, these routine food items can affect the therapeutic effect of the synthetic drug when taken concomitantly, either by pharmacokinetic or pharmacodynamic mechanisms. Conclusions: The results of this study are anticipated to provide valuable insights into the potential interactions between herbal extracts and metronidazole absorption. Herbal extracts, which are frequently used in conventional medicine and as food additives, might affect how synthetic medications like metronidazole are absorbed. Such interactions may affect the effectiveness of therapy and the results for patients. These results highlight the need of taking into account possible herb–drug interactions and modifying drug delivery schedules accordingly. For safe and effective medication administration, it is essential to comprehend these interactions. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 130 KiB  
Abstract
Eco-Friendly Synthesized Silver-Nanoparticle-Modified PVA/PEG Hydrogels
by Katarzyna Sala, Magdalena Bańkosz, Hubert Placek, Julia Sztrumpf, Magdalena Kędzierska and Bozena Tyliszczak
Proceedings 2024, 103(1), 28; https://doi.org/10.3390/proceedings2024103028 - 12 Apr 2024
Viewed by 288
Abstract
This study introduces an advanced approach in the development of hydrogels, utilizing Polyvinyl Alcohol (PVA) and Polyethylene Glycol (PEG), integrated with eco-friendly synthesized silver nanoparticles [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 128 KiB  
Abstract
Study on Mercury Exposure and Different Approaches for the Management of Mercury Toxicity
by Praveen Kumar Maddheshiya, Priyanka Bharti, Sarad Kumar Mishra and Kapil Gupta
Proceedings 2024, 103(1), 29; https://doi.org/10.3390/proceedings2024103029 - 12 Apr 2024
Viewed by 377
Abstract
Mercury (Hg) is a highly toxic heavy metal that causes significant risks to human health and the environment. This study explores the sources and routes of mercury exposure to humans, its toxicological effects, and the various methods of phytoremediation and bioremediation to mitigate [...] Read more.
Mercury (Hg) is a highly toxic heavy metal that causes significant risks to human health and the environment. This study explores the sources and routes of mercury exposure to humans, its toxicological effects, and the various methods of phytoremediation and bioremediation to mitigate (Reduce) mercury contamination in the environment. Mercury exposure to humans primarily occurs through the consumption of contaminated seafood, the inhalation of mercury vapour, and occupational exposure, which can lead to adverse health effects, including neurological disorders, cardiovascular issues, and developmental defects. Furthermore, mercury contamination in the environment can persist and bioaccumulate in the food chain, further exacerbating the risks to human health. Phytoremediation, a sustainable and cost-effective method, involves the use of plants to extract, stabilize, or transform mercury in contaminated soils or water. Various plant species have demonstrated the ability to accumulate and detoxify mercury through mechanisms such as phytochelation and rhizofiltration. Additionally, the genetic engineering of plants can be achieved to enhance mercury uptake, and accumulation is also a promising method used for efficient phytoremediation. Bioremediation, on the other hand, involves the use of microorganisms, such as bacteria and fungi, to remediate mercury-contaminated sites. These microorganisms can reduce mercury to less toxic forms (e.g., elemental mercury to less soluble mercuric ions) or form complexes that immobilize mercury. Apart from microbes and plants, seaweed or seaweed-derived products can be seen as an efficient alternative for the bioaccumulation of mercury. Bioremediation techniques are being continuously developed and optimized to enhance their efficiency and applicability. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
1 pages, 130 KiB  
Abstract
Enhancing Polyetheretherketone (PEEK) Implants for Orthopedic Applications through Surface Modification with BMP-2 and Az-Gel Coating
by Teng Wan
Proceedings 2024, 103(1), 30; https://doi.org/10.3390/proceedings2024103030 - 12 Apr 2024
Viewed by 322
Abstract
Polyetheretherketone (PEEK) is a promising biomedical material for orthopedic and dental applications due to its excellent mechanical properties, low immunogenicity, and X-ray transparency. However, it exhibits bio-inertness and limited osteoconduction. Surface modification of PEEK can effectively address this issue while preserving its favorable [...] Read more.
Polyetheretherketone (PEEK) is a promising biomedical material for orthopedic and dental applications due to its excellent mechanical properties, low immunogenicity, and X-ray transparency. However, it exhibits bio-inertness and limited osteoconduction. Surface modification of PEEK can effectively address this issue while preserving its favorable properties. The primary objective of this study is to create a bioactive surface on PEEK implants through surface modification. BMP-2 was immobilized onto the porous structure through an intermediate layer of photoreactive gelatin (Az-Gel) to produce a bioactive PEEK implant. Its surface characteristics and in vitro cellular behavior were systematically assessed using scanning electron microscopy (SEM), static contact angle measurements, cell proliferation assays, alkaline phosphatase activities, and cellular morphology. Our study results indicated the following: (1) A surface porous structure, with pores mostly between 0.24 µm and 0.74 µm in size and 3.5 µm in thickness, was created on PEEK implants by immersing them in concentrated sulfuric acid, as determined by SEM and Image J software analysis. (2) The hydrophobicity of the PEEK implants could be reduced by the surface porous structure, while an Az-Gel coating substantially enhanced the hydrophobicity of the samples. (3) In vitro cytological studies demonstrated that PEEK implants enhanced with BMP-2 through Az-Gel coating promoted the adhesion, spreading, proliferation, extracellular matrix secretion, and osteogenic differentiation of MC3T3-E1 cells. Surface modification of PEEK implants with BMP-2 through Az-Gel coating can enhance osseointegration and osteogenic differentiation, making it a promising material for orthopedic implants and medical devices. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
124 KiB  
Abstract
Glycation-Induced Structural Alteration in Biomolecules
by Dinesh Kumar and Ahmad Ali
Proceedings 2024, 103(1), 31; https://doi.org/10.3390/proceedings2024103031 - 12 Apr 2024
Viewed by 310
Abstract
Hyperglycaemia leads to an accumulation of harmful substances in the body due to a process known as glycation. In this process, carbonyl groups of sugars interact with the amino groups of other biomolecules, ultimately resulting in the formation of advanced glycation end products. [...] Read more.
Hyperglycaemia leads to an accumulation of harmful substances in the body due to a process known as glycation. In this process, carbonyl groups of sugars interact with the amino groups of other biomolecules, ultimately resulting in the formation of advanced glycation end products. These products have been implicated in various pathophysiological conditions like diabetes, Parkinson’s, Alzheimer’s, cataracts, etc. Although the exact mechanism by which AGEs bring about changes in the structure of biomolecules is not known, it is assumed that cross-linking, aggregation, oxidation, and precipitation of proteins are some probable processes that are responsible for the structural and functional changes in biomolecules. In our study, we have used glucose and BSA as the in vitro model system to study the structural alterations they produce and the reversal of these alterations induced by natural products. A range of spectroscopic and electrophoretic tools were used to assess the alteration in BSA structure. The amounts of glycation products were also quantified by colourimetric and spectrofluorometric methods. The results indicate that glucose induces severe changes in the conformation of BSA and the presence of thymoquinone suppresses these alterations. Similarly, a significant amount of glycation products were generated in the in vitro system and were inhibited by the natural product. It can be concluded that glucose brings about conformational changes in proteins and causes the accumulation of glycation products during sustained hyperglycaemia. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
141 KiB  
Abstract
Suillus mediterraneensis from the Algerian Coastline: Morphological Recognition and Mycochemical Profiling
by Mimoune Souna, Choukri Tefiani, Salim Habi and Abdelmalek Chaalel
Proceedings 2024, 103(1), 32; https://doi.org/10.3390/proceedings2024103032 - 12 Apr 2024
Viewed by 271
Abstract
Suillus mediterraneensis is an ectomycorrhizal mushroom of two-needle pines. The purpose of the present study is to initially determine the morphological characterization of the species and, thereafter, the mycochemical investigation of the hydro-methanolic extract in order to identify the main chemical classes of [...] Read more.
Suillus mediterraneensis is an ectomycorrhizal mushroom of two-needle pines. The purpose of the present study is to initially determine the morphological characterization of the species and, thereafter, the mycochemical investigation of the hydro-methanolic extract in order to identify the main chemical classes of their composition in terms of secondary metabolites using simple and rapidly recognized methods and techniques. This survey is being carried out in the coastal region of Ghazaouet within the wilaya of Tlemcen. The morphological determination of the mushroom is based on a range of macroscopic features, including the cap (by its shape, size, color, and surface or its cuticle), the hymenophore, the hymenium (tubes: their color, their shape, and the way they are attached), the stipe (thickness and shape), and the flesh. Furthermore, microscopic examination, either fresh or with reagents, especially Melzer’s reagent, is needed to determine the shape, ornamentation, and size of the spores. The macro-chemical reaction of the different parts can be useful. This identification allows us to determine the species S. mediterraneensis, the family of Suillaceae, under Pinus halepensis with the presence of granules on the stipe. The results of the mycochemical screening carried out on the extract showed the presence of substances belonging to the classes of active compounds that include flavonoids, tannins, alkaloids, free quinones, reducing compounds, and coumarins. Anthraquinones, terpenoids, and saponins are absent. These preliminary results encourage the characterization of other molecules, and further studies are needed to evaluate their biological activities. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
127 KiB  
Abstract
Synthesis and Characterization of Graphitic Carbon Nitride (g-C3N4)/Zinc Oxide Hybrid Nanocomposites for Photocatalytic and Biomedical Application
by Suneel and Qazi Inamur Rahman
Proceedings 2024, 103(1), 33; https://doi.org/10.3390/proceedings2024103033 - 12 Apr 2024
Viewed by 447
Abstract
Graphitic carbon nitride (g-C3N4) and zinc oxide (ZnO) are two promising materials that have been extensively studied for their potential applications in the photocatalytic and biomedical fields, including biosensors, bioimaging, photodynamic therapy, and antimicrobials, because of its biocompatible nature. [...] Read more.
Graphitic carbon nitride (g-C3N4) and zinc oxide (ZnO) are two promising materials that have been extensively studied for their potential applications in the photocatalytic and biomedical fields, including biosensors, bioimaging, photodynamic therapy, and antimicrobials, because of its biocompatible nature. The synthesis of g-C3N4/ZnO nanocomposites will be achieved through hydrothermal synthesis to produce materials with enhanced photocatalytic and biomedical properties due to the development of heterojunctions. The synthesized g-C3N4/ZnO hybrid nanostructures have a band gap of around 2.85 eV to 3.01 eV. The photocatalytic activity of the composites is evaluated through the degradation of organic pollutants (MB, RB171, RhB dyes) under simulated solar irradiation, demonstrating their potential for environmental remediation. In biomedical applications, the g-C3N4/ZnO nanocomposites exhibit biocompatibility and are explored for use in antimicrobial coatings. Techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier-transform infrared spectroscopy (FTIR), and UV–Vis(ultra-violet visible) spectroscopy are employed to analyze the crystal structure, surface morphology, particle size, chemical composition, and optical properties of the composites. The comprehensive characterization of these materials is crucial for their successful development and utilization in various technological domains. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 129 KiB  
Abstract
New Composites Based on Chitosan and Natural Polysaccharide-Containing Waste Materials
by Svetlana Vasilieva, Christina Antipova, Anastasia Zakharevich, Pavel Scherbakov, Timofey Grigoriev and Alexei Solovchenko
Proceedings 2024, 103(1), 34; https://doi.org/10.3390/proceedings2024103034 - 12 Apr 2024
Viewed by 267
Abstract
Immobilized microalgae (MA) are widely used for the production of biomass and high value-added metabolites, the biocapture of nutrients and heavy metals, and for the destruction of organic pollutants in wastewater [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
118 KiB  
Abstract
Integrated Bioinformatics Analysis for Identifying Hub Genes and Therapeutic Targets in Recurrent Breast Cancer Liver Metastasis
by Yuet-Hei Tyler Kwok and Kumaraswamy Naidu Chitrala
Proceedings 2024, 103(1), 35; https://doi.org/10.3390/proceedings2024103035 - 12 Apr 2024
Viewed by 340
Abstract
Introduction: Breast cancer during advancement to the metastatic stage involves the liver, thereby diminishing the survival rate among 50% of cases [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
128 KiB  
Abstract
Navigating the Digital Frontier: Revolutionizing Biomolecular Understanding Through Computational Ingenuity
by Ujban MD Hussain Hussain, Aditya Wadalkar, Ishant Diwakar Dahake, Hrushikesh Ramkrushn Ghotkar and Samiksha Sandeep Tammewar
Proceedings 2024, 103(1), 36; https://doi.org/10.3390/proceedings2024103036 - 12 Apr 2024
Viewed by 282
Abstract
Embark on a transformative journey into the heart of biomolecular complexity as we unravel the mysteries with the dynamic synergy of bioinformatics and computational biology [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 119 KiB  
Abstract
Impact of Poly(ADP-Ribose) Polymerase (PARP) and Immune Checkpoint Inhibitor Combinations on the Viability of Triple-Negative Breast Cancer Cells
by Tusha Sharma and Kumaraswamy Naidu Chitrala
Proceedings 2024, 103(1), 37; https://doi.org/10.3390/proceedings2024103037 - 12 Apr 2024
Viewed by 303
Abstract
Background: Breast cancer is one of the most common cancer types and the second most frequent one among women in the United States [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
3 pages, 1124 KiB  
Abstract
Integrating Articular Cartilage Histopathology with CTX-II and COMP as Synovial Fluid Biomarkers for a Comprehensive Analysis in Osteoarthritis Evaluation
by Sofija Semenistaja, Lība Sokolovska, Pēteris Studers, Anda Kadiša, Valērija Groma and Sandra Skuja
Proceedings 2024, 103(1), 38; https://doi.org/10.3390/proceedings2024103038 - 12 Apr 2024
Viewed by 349
Abstract
Osteoarthritis (OA) is the most common form of chronic joint disease characterized by the loss of cartilage as the primary site of the lesion [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
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117 KiB  
Abstract
Design, Development, and Method Evaluation of Aptamer-Based Diagnostics for the Detection of Multidrug-Resistant Bacteria
by N. Jaya Lakshmi and Hariprasad Puttaswamy
Proceedings 2024, 103(1), 39; https://doi.org/10.3390/proceedings2024103039 - 12 Apr 2024
Viewed by 354
Abstract
Bacterial multidrug resistance poses a growing hazard to public health worldwide. Pseudomonas aeruginosa is a ubiquitous bacterial species that has been identified as the second most critical pathogen on the list of drug-resistant bacteria posing a huge threat to human health. P. aeruginosa [...] Read more.
Bacterial multidrug resistance poses a growing hazard to public health worldwide. Pseudomonas aeruginosa is a ubiquitous bacterial species that has been identified as the second most critical pathogen on the list of drug-resistant bacteria posing a huge threat to human health. P. aeruginosa is an opportunistic Gram-negative bacterium that rapidly produces multiple virulence factors that promote adhesion, host cell penetration, and pathogenicity. It possesses inherent resistance to multiple classes of antibiotics, evading antibiotic treatment by triggering the persister phenotype. Traditional approaches for detecting pathogens in laboratory and clinical settings primarily involve microbiological, nucleic acid-based, immunological, and sequencing techniques, among others. These procedures are time-consuming, necessitate advanced laboratory equipment and skilled staff, and incur large setup costs, rendering them unsuitable for on-the-spot detection of bacterial infections in settings with limited resources. Aptasensors utilize nucleic acid aptamers as bio-receptors to detect pathogens. They circumvent the existing limitations of conventional detection systems due to their sensitivity, versatility for modification, cost-efficiency, and ability to enable real-time detection. So far, as per the literature, three aptamers have been developed against P. aeruginosa using whole bacterial cells but with unreported binding sites. This study aims to identify highly specific aptamers that can bind specifically to P. aeruginosa using whole-bacterium SELEX at any stage of growth with an extensive study of binding site interaction and identification. The objective is to develop an aptamer-based kit enabling rapid point-of-care detection of P. aeruginosa in clinical and environmental samples. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 127 KiB  
Abstract
Optimizing Breast Cancer Classification: A Comparative Analysis of Supervised and Unsupervised Machine Learning Techniques
by Prithwish Ghosh and Debolina Banerjee
Proceedings 2024, 103(1), 40; https://doi.org/10.3390/proceedings2024103040 - 12 Apr 2024
Viewed by 296
Abstract
This study focuses on the comprehensive analysis of machine learning algorithms for the classification of breast cancer into benign and malignant categories using the Wisconsin breast cancer dataset [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
126 KiB  
Abstract
Bioinformatic Analysis of the Anti-Cancer Effects of Safranal via the p53 Signaling Pathway in Cervical Cancer Cell Lines
by Souandaou Athoumani Ali, Fatma Gül Özcan and Ömür Karabulut Bulan
Proceedings 2024, 103(1), 41; https://doi.org/10.3390/proceedings2024103041 - 12 Apr 2024
Viewed by 384
Abstract
Cervical cancer is a widespread type of cancer among women worldwide, caused by an HPV virus infection [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
145 KiB  
Abstract
Classical and Non-Classical Compound Combinations for Treatment of Prostate Cancer Cell Line PC3
by Lidiya Petrova, Diana Zasheva, Nikolay Gergov, Els J. M. Van Damme, Tsvetelina Oreshkova, Vanya Bogoeva and Teodora Aleksandrova
Proceedings 2024, 103(1), 42; https://doi.org/10.3390/proceedings2024103042 - 12 Apr 2024
Viewed by 421
Abstract
Prostate cancer is one of the leading causes of death among men. Our study focuses on seeking new compounds and combinations to diminish the severe side effects of classical anticancer drugs for treating this type of cancer. In this study, we investigated and [...] Read more.
Prostate cancer is one of the leading causes of death among men. Our study focuses on seeking new compounds and combinations to diminish the severe side effects of classical anticancer drugs for treating this type of cancer. In this study, we investigated and compared the classical anticancer drug docetaxel and non-classical compounds, Au porphyrin, and the plant lectin jacalin, and in different combinations on the prostate cancer cell line PC3. Jacalin, isolated from jackfruit seeds by affinity chromatography on immobilized galactose, specifically recognizes the tumor-associated Thomsen–Friedenreich antigen. The present investigation shows the interaction of jacalin with Au porphyrin, registering conformational changes within the protein due to the binding. From the titration curve, the affinity of 1.8 ± 0.39 µM for the jacalin—Au porphyrin complex was calculated. In vitro experiments with PC3 cells treated with docetaxel, Au porphyrin, jacalin and combinations indicated a decrease in cell viability. The IC50 for Au porphyrin and for docetaxel were studied and indicated that the calculated IC50 for docetaxel was 8 orders of magnitude higher than that for Au porphyrin. Interestingly, we found that jacalin-Au porphyrin complex is more cytotoxic reaching cell viability of 34%, than docetaxel-Au-porphyrin complex (with cell viability above 50%). Our results demonstrate the effects of three compounds as well as the effects of their combinations upon PC3 cells. Interestingly, low concentrations of the plant lectin jacalin (3 µM) facilitated the cell cytotoxicity of Au-porphyrin, showing new perspectives in cancer treatment. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
128 KiB  
Abstract
Chitosan for Food Packaging Applications: A Patent Landscape Analysis
by Massimo Barbieri
Proceedings 2024, 103(1), 43; https://doi.org/10.3390/proceedings2024103043 - 12 Apr 2024
Viewed by 404
Abstract
Chitosan is a biopolymer synthesized by deacetylation of chitin, a polysaccharide that can be obtained from various renewable resources, mainly waste from marine food production [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
126 KiB  
Abstract
Deciphering Biomolecular Networks: Integrating Methods for Comprehensive Insights
by Ujban Hussain, Samiksha Sandeep Tammewar and Aditya Wadalkar
Proceedings 2024, 103(1), 44; https://doi.org/10.3390/proceedings2024103044 - 12 Apr 2024
Viewed by 326
Abstract
Introduction: Recent advancements in biomolecular research have significantly enhanced our comprehension of the intricate interactions and networks governing cellular processes [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
123 KiB  
Abstract
Design and Bioactivity Evaluation of Chloro-Substituted Hydrazones
by Boryana Nikolova-Mladenova
Proceedings 2024, 103(1), 45; https://doi.org/10.3390/proceedings2024103045 - 12 Apr 2024
Viewed by 361
Abstract
Aroylhydrazones, created by combining aromatic aldehydes and hydrazides, have numerous biological effects such as analgesic, anti-inflammatory, anticancer, antimicrobial, and antibacterial [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 135 KiB  
Abstract
Theoretical Study of Anti-Alzheimer’s Disease Using Molecular Modeling Methods
by Ferdaous Hasni, Ismail Daoud, Nadjib Melkemi and Rania Kherachi
Proceedings 2024, 103(1), 46; https://doi.org/10.3390/proceedings2024103046 - 1 Jul 2024
Viewed by 630
Abstract
Neurodegenerative diseases damage the nervous system and lead to a variety of complex progressive chronic issues [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
1 pages, 116 KiB  
Abstract
Repurposing of Drug Candidate against the Nucleocapsid Protein of Chandipura Virus
by Rajamanikandan Sundarraj and Shankari Gopalakrishnan
Proceedings 2024, 103(1), 47; https://doi.org/10.3390/proceedings2024103047 - 12 Apr 2024
Viewed by 556
Abstract
Chandipura virus (CHPV) is a vesiculovirus that is a member of Rhabdviridae and is an encephalitic pathogen responsible for numerous epidemics in Central and Western India. The virus affects the brain and central nervous system mainly in children under 15 age of years, [...] Read more.
Chandipura virus (CHPV) is a vesiculovirus that is a member of Rhabdviridae and is an encephalitic pathogen responsible for numerous epidemics in Central and Western India. The virus affects the brain and central nervous system mainly in children under 15 age of years, leading to neurological dysfunctions. Vectors that include sand flies, mosquitoes, and ticks are the main culprits in the transmission of CHPV. Five structural proteins (N, P, M, G, and L) encode the viral genome. The nucleocapsid protein N (N protein) encapsulates the viral genomic RNA in an RNase-resistant state, which plays a crucial role in the viral life cycle. Currently, no effective vaccine or therapeutics are available to treat the viral infection, and therefore efficient interventions are urgently needed. The repurposing of drugs is one of the best possible ways to controlCHPV infections in India and other parts of the world. In this study, we used a structure-based virtual screening approach by using FDA-approved drugs against the nucleocapsid protein of CHPV. The docking process identified a few drug candidates, which showed potent binding affinity towards the N protein. We used the Schrödinger Desmond v3.0 module; to compute the relative binding energies of ligands, we used the premier mm-GBSA module. Based on a short molecular dynamics simulation and prime MM-GBSA analysis, we identified Adrabetadex, Hydroxypropyl betadex, Beta-1,2,3,4,6-penta-O-Galloyl-D-Glucopyranose, thio-maltohexaose, and Indium-III pentetreotide as potent drug candidates for CHPV. Our computational results provide suggestions for in vitro and in vivo testing of these drugs against CHPV. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
129 KiB  
Abstract
Genetic Insights into E-Cadherin Modulation: Exploring the Benefits of Synthetic Acetyl Hexapeptide-1 in Wound Healing and Anti-Aging for Dermo-Cosmetics
by Nikoleta Topouzidou, Christos Petrou, Androulla N. Miliotou and Yiannis Sarigiannis
Proceedings 2024, 103(1), 48; https://doi.org/10.3390/proceedings2024103048 - 12 Apr 2024
Viewed by 449
Abstract
Dermo-cosmetics are cosmetics combined with bioactive ingredients to impart therapeutic benefits on the skin and have made significant advances in recent decades [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
129 KiB  
Abstract
Enhanced Efficacy of Homeophotodynamic Therapy of Rhobdomyosarcoma Cancer Cells by Using Chemo-Drug as an Adjuvant Agent
by Afifa Tanveer, Abdul Rehman Khan and M. Rafi
Proceedings 2024, 103(1), 49; https://doi.org/10.3390/proceedings2024103049 - 12 Apr 2024
Viewed by 328
Abstract
After cardiovascular diseases, the leading cause of death all around the world is cancer. Rhobdomyosarcoma (RMS) is the cancer of soft tissues and it mostly occurs in children and in adults aged between 10 and 25 years. There are several therapeutic modalities that [...] Read more.
After cardiovascular diseases, the leading cause of death all around the world is cancer. Rhobdomyosarcoma (RMS) is the cancer of soft tissues and it mostly occurs in children and in adults aged between 10 and 25 years. There are several therapeutic modalities that are being used for treating cancer such as surgery, radiation therapy and chemotherapy. But due to their side effects, these therapeutic modalities are not so effective. Photodynamic therapy (PDT) is a new treatment modality introduced for cancer treatment. Low doses of photosensitizer (PS) and light are used in PDT. In this work, combinations of the homeo-drug Hydrastis canadensis (mother tincture, H30C and H200C) and the chemo-drugs Methotrexate (MTX), Doxorubicin (DOX) and Duticine (DTIC) along with PDT were studied by using an RD cell line. The results obtained were compared with individual therapy and the most effective therapeutic combination was selected. It was found that individual administration of PDT, chemo-therapeutic drugs and Hydrastis was not effective because less killing (about 10–15%) occurred as a result of individual therapy. Conversely, combination of chemo- and homeo-drug with PDT gave efficient results. The most suitable combination that showed effective killing (about 50% cells viable) of RD cells was the combination of MTX with Hydrastis, potency H200C, along with PDT. It was concluded that the combination therapy using homeo-drug is more effective and targeted in treating cancer than mono-therapy. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 131 KiB  
Abstract
Bioactives of Hypericum Perforatum to Control Diabetes: In Vitro and In Vivo Biological Evaluation in Diabetic Rats
by Neelam Singh and Puneet Gupta
Proceedings 2024, 103(1), 50; https://doi.org/10.3390/proceedings2024103050 - 12 Apr 2024
Viewed by 330
Abstract
Background: Improving diabetes mellitus treatment is a significant contemporary medical and societal issue [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
158 KiB  
Abstract
The Role of the Charged Residues in the C-Gate of the Yeast Mitochondrial NAD+ Transporter Ndt1p
by Daniela Valeria Miniero, Magnus Monné, Maria Antonietta Di Noia, Luigi Palmieri and Ferdinando Palmieri
Proceedings 2024, 103(1), 51; https://doi.org/10.3390/proceedings2024103051 - 12 Apr 2024
Viewed by 291
Abstract
The mitochondrial carrier family (MCF) consists of nuclear-encoded proteins which catalyze the transport of a wide variety of compounds across the mitochondrial inner membrane. These proteins present common structural features, which consist of three repeats of two transmembrane helices enclosing a translocation pore [...] Read more.
The mitochondrial carrier family (MCF) consists of nuclear-encoded proteins which catalyze the transport of a wide variety of compounds across the mitochondrial inner membrane. These proteins present common structural features, which consist of three repeats of two transmembrane helices enclosing a translocation pore with a single substrate binding site. Access to the pore from the matrix side is controlled by a network of salt bridges formed by conserved charged residues of the signature motifs PX[D/E]XX[R/K] (M-gate) on the transmembrane helices H1, H3, and H5. On the cytosolic side, a less-conserved network is formed by the residues of the motifs [F/Y][D/E]XX[R/K] (C-gate) on H2, H4, and H6. In this work, to test the role of the charged residues of the C-gate in transport, we analyzed the charged residues of the cytoplasmic motifs of the yeast mitochondrial NAD+ transporter (Ndt1p). Single cysteine mutations of the negatively and positively charged residues were introduced by site-directed mutagenesis and only three of them (H4:E258, H4:K261, and H6:E359) completely inactivated the carrier. The double cysteine salt-bridge pair mutant H4-H6:K261C/E359C exhibited a higher transport rate than the corresponding single mutants as well as when the charged residues were swapped in these positions (H4-H6:K261E/E359K). The double mutant H2-H4:K164C/E258C and the swapped H2-H4:K164E/E258K exhibited transport rates at similar levels to the single K164C. The sextuple mutant with all the charged residues inverted was inactive. These preliminary results suggest that not all the charged C-gate residues are essential for transport and that some of them may have additional roles in transport besides forming salt-bridges. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 143 KiB  
Abstract
Human Gut Commensal-Derived Exopolysaccharide-Mediated Short-Chain Fatty Acid Production by In Vitro Gastrointestinal Digestion and Its Enzymatic Inhibitory Mechanism Targeting the Microbial Composition of Irritable Bowel Disease (IBD)
by Deepthi Ramya Ravindran and Murugan Marudhamuthu
Proceedings 2024, 103(1), 52; https://doi.org/10.3390/proceedings2024103052 - 12 Apr 2024
Viewed by 400
Abstract
The intestinal microbiome is important for synthesising nutrients, breaking down polysaccharides, protecting against foreign microbes, and aiding immune system development by producing short-chain fatty acids (SCFAs). SCFAs are formed through the interaction between the gut microbiota and the diet in the gut lumen. [...] Read more.
The intestinal microbiome is important for synthesising nutrients, breaking down polysaccharides, protecting against foreign microbes, and aiding immune system development by producing short-chain fatty acids (SCFAs). SCFAs are formed through the interaction between the gut microbiota and the diet in the gut lumen. This study aims to extract exopolysaccharide (EPS) from the gut isolate Proteus mirabilis DMTMMR-11, a probiotic species which was optimised to improvise the yield of EPS through one-factor-at-a-time (OFAT) and response surface methodology. The central composite design (CCD) increased the yield up to 2.32 ± 0.4 g/L, abd characterization was performed to study the structural and functional moieties of EPS by Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR) for proton and carbon (1H and C13-NMR). The EPS was subjected to artificial simulated gastrointestinal digestion by mimicking the gut conditions of healthy humans. These data reveal the higher concentrations of SCFA derivatives such as propionate, acetate, and other bioactive metabolites. The in vitro experiments in IBD (irritable bowel syndrome) patients’ gut homogenates were treated with EPS digest with SCFA, revealing that dysbiosis is reinstated, by improvising the colonisation of probiotic and gut symbionts by inhibiting the growth of pathogenic bacteria, which was studied by the metagenomic sequencing (V3–V4) region of the 16S rRNA gene. The EPS digest with SCFA was subjected to biological activities such as scavenging and reducing power, which showed 32.03 ± 0.21 and 13.04 ± 0.3 µg/mL. The anti-diabetic activity, like α-amylase, α-glucosidase and DPP-IV, was studied, expressing reduced IC50 values at (9.21 ± 0.3, 4.43 ± 0.4, 21.4 ± 0.33) µg/mL. Anti-inflammatory activity was higher up to 75%, and the anti-lipidemic inhibition property expressed inhibition up to 40% in cholesterol esterase and pancreatic lipase. These results indicate that EPS digest with SCFA is a beneficial substrate and can be administered for combinational IBD therapies. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
128 KiB  
Abstract
Caspase Gene Expression in Colon Cancer Cells Exposed to 5-Fluorouracil Treatment
by Jelena Pavić, Marko Živanović, Irena Tanasković, Katarina Virijević, Tamara Mladenović and Nenad Filipović
Proceedings 2024, 103(1), 53; https://doi.org/10.3390/proceedings2024103053 - 12 Apr 2024
Viewed by 292
Abstract
Colorectal cancer is the third most common type of cancer and remains a significant global health challenge [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 162 KiB  
Abstract
Amperometric Determination of Serotonin Exocytosis in Human Platelets with BDD-on-Quartz MEA Devices
by Rosalía González-Brito, Pablo Montenegro, Alicia Méndez, Ramtin E. Shabgahi, Alberto Pasquarelli and Ricardo Borges
Proceedings 2024, 103(1), 54; https://doi.org/10.3390/proceedings2024103054 - 12 Apr 2024
Viewed by 278
Abstract
Amperometry is arguably the most widely used technique for studying the exocytosis of biological amines, allowing the study of the dynamics and kinetics of this cellular mechanism in real time [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
136 KiB  
Abstract
HIF-1α as a Potential Target for Pharmacologic Correction after Prenatal Hypoxia
by Olena Gennadiivna Aliyeva, Igor Fedorovich Belenichev and Olena Olexandrivna Popazova
Proceedings 2024, 103(1), 55; https://doi.org/10.3390/proceedings2024103055 - 12 Apr 2024
Viewed by 294
Abstract
Chronic prenatal hypoxia (CPH) is one of the most common causes of neonatal mortality and postnatal disorders of the nervous system and the mental development of infants [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
132 KiB  
Abstract
Studying the Inhibitory Activity of Novel Series Compounds for Parkinson’s Disease Using a Molecular Docking Method
by Rania Kherachi, Daoud Ismail, Merzaka Mettai, Ferdaous Hasni and Melkemi Nadjib
Proceedings 2024, 103(1), 56; https://doi.org/10.3390/proceedings2024103056 - 12 Apr 2024
Viewed by 370
Abstract
After Alzheimer’s disease, Parkinson’s disease (PD) is the second most prevalent neurological illness. Clinically, it is defined by parkinsonism, which includes stiffness, bradykinesia, resting tremor, and postural instability. Pathologically, it is characterized by the loss of substantia nigra neurons. Monoamine oxidases (MAO-A and [...] Read more.
After Alzheimer’s disease, Parkinson’s disease (PD) is the second most prevalent neurological illness. Clinically, it is defined by parkinsonism, which includes stiffness, bradykinesia, resting tremor, and postural instability. Pathologically, it is characterized by the loss of substantia nigra neurons. Monoamine oxidases (MAO-A and MAO-B) are enzymes responsible for metabolizing neurotransmitters such as dopamine (DA) and adrenaline. Selective MAO-A or MAO-B inhibitors have been the focus of recent attempts to create MAO inhibitors. In addition, Parkinson’s disease can be effectively treated with MAO-B inhibitors. The objective is to elucidate the several types of interactions between enzymes and ligands and assess the stability of the resulting complexes. Various molecular modeling methods are used to study the inhibition of the enzyme MAO-B (PDB:4a79) involved in PD, including molecular docking, molecular dynamics, MOE software, and ADME prediction. Based on the findings, compound L30 and compound L38, the top contenders identified by molecular docking/dynamic simulations and with low energy scores, had low IC50 values (0.110 and 0.305 µM, respectively). The combination of the two outcomes from the earlier techniques demonstrates that the compounds L30 and L38 were chosen as the most effective MAO-B inhibitors and that they also satisfy the Lipinski, Veber, and Egan rules. They are also able to traverse the BBB. Furthermore, they may be utilized to create novel pharmaceutical medicines to treat individuals with PD. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 139 KiB  
Abstract
Adiposity: A Seed of Depression
by Dhivya Selvaraj, Pramod Kumar Pandey, Tunjin Vashisth, Sukanya Gangopadhyay, Usha Bindal and Kuldip Kumar
Proceedings 2024, 103(1), 57; https://doi.org/10.3390/proceedings2024103057 - 12 Apr 2024
Viewed by 279
Abstract
Introduction: Depression is a very common psychological problem observed all around the world. Though various treatment modalities are available for this mental illness, further research is warranted to find novel therapeutics. Recent speculations on the role of adiponectin in animal models of depression [...] Read more.
Introduction: Depression is a very common psychological problem observed all around the world. Though various treatment modalities are available for this mental illness, further research is warranted to find novel therapeutics. Recent speculations on the role of adiponectin in animal models of depression have shown interesting results. Leptin is an adipokine that affects mood and cognition. Hence, the role of adiponectin and leptin in patients with depression needs to be probed. Objective: To estimate serum adiponectin and leptin concentration in depressive patients and compare them with healthy controls. Methods: This study was conducted at the Department of Biochemistry and Psychiatry, VMMC, and Safdarjung Hospital, New Delhi, following ethical clearance from our institution’s Ethics Committee. Serum samples were taken from 30 severely depressive patients and 30 healthy controls subsequent to receiving written consent from the patients’ relatives. The samples were checked for serum adiponectin and leptin levels via QUAEE-BIO and a DBC ELISA kit. Data were analyzed using SPSS version 21.0. Results: Cases and controls were age- and sex-matched. Serum adiponectin levels in the depression group were significantly higher than in the controls [Z = −2.18, p = 0.03]. Serum leptin levels in the depression group were not significantly different from that of the controls [Z = −0.47, p = 0.64]. Also, there was no correlation between serum adipokine levels and the severity of depression. However, there was a significant difference in adipokine levels between sexes in the case group and in the whole study group (p = 0.000). Conclusions: The higher serum adiponectin levels in the case group are in contrast with previous studies, which found lower adiponectin levels in depression. This may be due to the effect of treatment in cases of depression; further large-scale studies should be carried out to elucidate the role of adiponectin in depression. The small study size and absence of data about pretreatment serum adiponectin levels are the major limitations of this study. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 128 KiB  
Abstract
Bioinformatics Analysis of the Actin Interactome
by Yakov I. Mokin, Olga I. Povarova, Iuliia A. Antifeeva, Konstantin K. Turoverov, Irina M. Kuznetsova and Alexander V. Fonin
Proceedings 2024, 103(1), 58; https://doi.org/10.3390/proceedings2024103058 - 12 Apr 2024
Viewed by 311
Abstract
Actin is a key protein of the muscle contraction system [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
126 KiB  
Abstract
β-Amyrin and Metformin, Alone and in Combination, Protect NRK-52E Cell Lines from High Glucose-Induced Nephrotoxicity by Attenuating Oxidative Stress, Apoptosis, Endoplasmic Reticulum Stress, and Inflammation
by Tamsheel Fatima Roohi and K. L. Krishna
Proceedings 2024, 103(1), 59; https://doi.org/10.3390/proceedings2024103059 - 12 Apr 2024
Viewed by 457
Abstract
Introduction: Diabetes, a global health issue, can cause diabetic nephropathy in one third of its sufferers. Recently, β-amyrin, a natural pentacyclic triterpene, has garnered interest for its potential to combat diabetes and treat chronic kidney disease resulting from the condition. In this study, [...] Read more.
Introduction: Diabetes, a global health issue, can cause diabetic nephropathy in one third of its sufferers. Recently, β-amyrin, a natural pentacyclic triterpene, has garnered interest for its potential to combat diabetes and treat chronic kidney disease resulting from the condition. In this study, we investigate the antihyperglycemic and renoprotective effects of β-amyrin, both individually and in combination with metformin, through the use of NRK-52E cell lines. Methods: We conducted an investigation into the impact of β-amyrin and metformin, both separately and in combination, on NRK-52E cell lines under normoglycemic and hyperglycemic conditions. High glucose-cotreated NRK-52E cells were exposed to these compounds, and their effects were evaluated through several parameters, including cell viability assessed using the cell counting kit-8 assay, apoptosis via flow cytometry, reactive oxygen species (ROS) levels using H2DCFDA expression, and gene expression studies via RT-qPCR to examine endoplasmic reticulum (ER) stress, apoptotic markers, and inflammatory markers. Results: Under normoglycemic conditions, the test compounds did not exhibit a significant impact on the cell lines. However, in the presence of high glucose, β-amyrin, metformin, and their combination demonstrated a noteworthy improvement in cell viability, with the combined treatment yielding superior results compared to individual treatments. The flow cytometry analysis revealed a substantial reduction in apoptotic cells, particularly with the combination treatment (p < 0.05). Moreover, the test compounds effectively inhibited high glucose-induced ROS production, with the combination treatment displaying the most significant reduction. Gene expression studies demonstrated a downregulation of ER stress, apoptotic markers, and inflammatory markers, with the combination treatment consistently yielding the greatest reductions. Conclusions: β-amyrin and metformin exhibit renoprotective effects in high glucose-induced renal cells, suggesting a promising therapeutic approach for mitigating hyperglycemia’s adverse effects on renal function. Further research in diabetic patients is needed to validate these findings. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 147 KiB  
Abstract
Differences in the Degradation and Utilization of Low-Esterification Pectin by Different Intestinal Bacteria
by Quanyong Wu
Proceedings 2024, 103(1), 60; https://doi.org/10.3390/proceedings2024103060 - 12 Apr 2024
Viewed by 323
Abstract
The gel of low-esterification pectin has no special requirements for soluble solids and is often used as a thickening agent, gelling agent and stabilizer in food. Pectin is difficult to digest and absorb when ingested by the human body. It is mainly fermented [...] Read more.
The gel of low-esterification pectin has no special requirements for soluble solids and is often used as a thickening agent, gelling agent and stabilizer in food. Pectin is difficult to digest and absorb when ingested by the human body. It is mainly fermented and utilized by the intestinal flora at the end of the intestine to produce active substances such as short-chain fatty acids. Therefore, pectin may be able to regulate the composition of intestinal flora and affect human health. The intestinal flora is diverse, and there may be a preference for the utilization of low-ester pectin. This study selected three different human intestinal bacteria, including five strains of Bacteroides xylanolyticus, two strains of Enterococcus faecium and two strains of Bifidobacterium longum, to explore their differences in the degradation and utilization of low-esterification pectin. The culture medium was prepared using low-ester pectin L102 as the sole carbon source. Through the growth pattern, pH value, sugar content and short-chain fatty acid changes of each strain in the pectin culture medium, the degradation effect of the different intestinal bacteria on low-esterification pectin was elucidated. The results showed that Bifidobacterium longum had a weak ability to degrade low-ester pectin and poor growth. Both Bacteroides xylanolyticum and Enterococcus faecium can degrade low-esterification pectin and grow well, among which Bacteroides xylanolyticum Bt-17 and Enterococcus faecium ET-2 are the best. The difference is that Bacteroides xylanolyticum Bt-17 degrades low-esterification pectin to mainly produce acetic acid and propionic acid, while Enterococcus faecium ET-2 degrades low-esterification pectin to mainly produce acetic acid. The research results provide a theoretical basis for the selective interaction between low-ester pectin and the intestinal flora and provide a strategy for selectively regulating the composition of the intestinal flora. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 169 KiB  
Abstract
Phlorotannins as Bioactive Agents from Brown Algae: Chemical Characterization and Extraction Methods
by Camila F. Secco Bastos, Maria Carpena, Franklin Chamorro, Rafael Nogueira-Marques, Aurora Silva, Maria Fátima Barroso, Marlene Santos and Miguel A. Prieto
Proceedings 2024, 103(1), 61; https://doi.org/10.3390/proceedings2024103061 - 12 Apr 2024
Viewed by 429
Abstract
Marine organisms, especially brown seaweeds, have attracted a lot of attention worldwide because of their potential for use in treating a range of infectious and non-infectious diseases, being able to take part in the creation of medications and nutraceuticals intended for ingestion by [...] Read more.
Marine organisms, especially brown seaweeds, have attracted a lot of attention worldwide because of their potential for use in treating a range of infectious and non-infectious diseases, being able to take part in the creation of medications and nutraceuticals intended for ingestion by humans [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
136 KiB  
Abstract
Functional and Structural Annotation of Uncharacterized Lysine Methyltransferase Proteins in Candida auris 
by Himanshu Kishore Prasad
Proceedings 2024, 103(1), 62; https://doi.org/10.3390/proceedings2024103062 - 12 Apr 2024
Viewed by 297
Abstract
Candia auris is a fungal pathogen that has emerged as a global threat in recent years due to its resistance to multiple antifungal drugs and its ability to cause invasive infections, especially in immunosuppressed patients [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 147 KiB  
Abstract
Starch–Polyphenol Interactions: Impact on Food Structure and Starch Digestibility
by Javier Echave, Sepidar Seyyedi-Mansour, Pauline Donn, Ana Olivia Serra Jorge, Lucia Cassani, Lillian Barros and Miguel Angel Prieto
Proceedings 2024, 103(1), 63; https://doi.org/10.3390/proceedings2024103063 - 12 Apr 2024
Viewed by 431
Abstract
Starch, conformed by amylose and amylopectin, represents the major carbohydrate macromolecule consumed globally as a major component of staple foods. Phenolic compounds are ubiquitous secondary metabolites in plants with strong antioxidant capacities and have attracted a great deal of attention in recent decades. [...] Read more.
Starch, conformed by amylose and amylopectin, represents the major carbohydrate macromolecule consumed globally as a major component of staple foods. Phenolic compounds are ubiquitous secondary metabolites in plants with strong antioxidant capacities and have attracted a great deal of attention in recent decades. Besides these capabilities, polyphenols are known to interact through different bonds with polysaccharides, lipids or proteins, which impact the formed complex structure and its digestibility. Due to their hydroxyl groups, it appears as if lower MW polyphenols tend to display fewer H-bonds due to their fewer hydroxyl groups and thus weaker interactions and affinity, whereas higher MW polyphenols, such as polymerized tannins and especially proanthocyanidins, display a higher number of available H-bonds and a generally higher affinity. Native starch is usually present in two main forms: V-type inclusion complexes with hydrophobic bonds or non-inclusion crystal complexes (A- or B-type) prone to H-bonds and ionic/electrostatic interactions. The formation of the complexes depends on the starch microstructure, and also depends on the amylose/amylopectin ratio, and the ratio of crystalline and amorphous structures, with polyphenols showing higher affinity towards amylose and the hydrophobic interior of helix structures in starch. At the microstructural level, starch–polyphenol complexation leads to increased porosity and denser granules. At the rheological level, this translates into the starch showing reduced viscosity and elasticity. Moreover, this greatly impairs starch’s gelatinization and retrogradation during cooking, providing a final structure more akin to resistant starch, with a final reduced hardness and adhesiveness. These changes affect the digestibility of starch by amylolytic enzymes (i.e., α-amylase) and lead to lowered glucose release from it and absorption. This review aims to present a comprehensive and summarized overview of updated knowledge on this and the remaining gaps in knowledge. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
137 KiB  
Abstract
Precision Drug Discovery from Zingiber Officinalis: Unraveling Therapeutic Insights for Rheumatoid Arthritis through Innovative In Silico Approaches and Controlled Release Strategies
by Ujban Hussain and Samiksha Sandeep Tammewar
Proceedings 2024, 103(1), 64; https://doi.org/10.3390/proceedings2024103064 - 12 Apr 2024
Viewed by 290
Abstract
To pioneer an innovative in silico exploration of Zingiber officinalis for Rheumatoid Arthritis, employing virtual screening to discern the impact of its chemical constituents on the cyclo-oxygenase receptor [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
132 KiB  
Abstract
Towards Skin Longevity: The Development of a Novel Plant-Based Combination with a Potent Stimulation of Collagen I Synthesis In Vitro
by Viktor Filatov and Elizaveta Patronova
Proceedings 2024, 103(1), 65; https://doi.org/10.3390/proceedings2024103065 - 12 Apr 2024
Viewed by 344
Abstract
Human skin is constantly exposed to various endogenous and exogenous factors, including UV radiation and vitamin deficiency, which can influence the earlier appearance of visible wrinkles and decrease skin firmness and elasticity. This process is related to decreased collagen I synthesis in the [...] Read more.
Human skin is constantly exposed to various endogenous and exogenous factors, including UV radiation and vitamin deficiency, which can influence the earlier appearance of visible wrinkles and decrease skin firmness and elasticity. This process is related to decreased collagen I synthesis in the dermis. However, the use of retinol derivatives, synthetic molecules, and growth factors is associated with significant adverse effects, low bioavailability, and instability in dermatological products. Thus, our research was focused on the investigation of a novel plant-based combination for the stimulation of collagen I synthesis in deep skin layers and the prevention of accelerated skin ageing. Aloe barbadensis leaf extract, trimethylglycine, and panthenol were chosen as potential candidates using in silico modelling. A Way2Drug tool predicted anti-inflammatory, anti-psoriatic, and antioxidant activities beneficial for the prophylaxis of skin ageing. An in vitro study was conducted to determine collagen I synthesis in skin fibroblasts in the presence of single substances and their composition using a colorimetric analysis. It was revealed that the combination of Aloe barbadensis leaf extract, trimethylglycine, and panthenol in a specific mass ratio of 2:4:1 and at a concentration of 0.5% significantly increased the amount of collagen I in the skin fibroblasts by up to +18% within 24 h (p < 0.001). This effect was comparable to that of TGF-β1 (10 ng/mL), with a 37% collagen I increase (p < 0.001). The single compounds and the combination of Aloe barbadensis leaf extract and trimethylglycine showed a negative effect on collagen I synthesis, with an unpredictable decrease in this protein in fibroblasts. The combination of the compounds made it possible to achieve a synergistic effect, boosting the natural rejuvenation process in fibroblasts. Overall, the results indicate that the developed plant-based composition in the specific mass ratio and concentration given above could increase collagen I synthesis and can be considered a promising substance for dermatological products with reverse anti-ageing effects. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 143 KiB  
Abstract
In Silico Study of Combined Docking and Molecular Dynamics Simulation for Hops (Humulus lupulus) Active Compounds in Inhibiting Duffy-Binding Protein (DBP) as Anti-Plasmodium vivax (P. vivax)
by Gusnia Meilin Gholam, Riyan Alifbi Putera Irsal, Maheswari Alfira Dwicesaria and Muhammad Marsha Azzami Hasibuan
Proceedings 2024, 103(1), 66; https://doi.org/10.3390/proceedings2024103066 - 12 Apr 2024
Viewed by 394
Abstract
Malaria is one of the infectious illnesses causing a public health burden worldwide. Plasmodium vivax (P. vivax) is the most prevalent malaria parasite in Asia and Asia Pacific. P. vivax is resistant to sulfadoxine–pyrimethamine (SP) and mefloquine. This resistance makes it [...] Read more.
Malaria is one of the infectious illnesses causing a public health burden worldwide. Plasmodium vivax (P. vivax) is the most prevalent malaria parasite in Asia and Asia Pacific. P. vivax is resistant to sulfadoxine–pyrimethamine (SP) and mefloquine. This resistance makes it extremely difficult to control and eradicate due to its ability to survive in the liver and reactivate if the person infected has a weakened immune system. Thus, this study aims to inhibit P. vivax via targeting Duffy-binding protein (DBP) with active compounds from Hops (Humulus lupulus). The inhibition of DBP is essential to reduce malaria invasion of human red blood cells. We performed a quality assessment and prediction of the active site of DBP to determine the effectiveness and prediction of ligands in inhibiting DBP. Furthermore, the mechanism and structural stability of active compounds against DBP were evaluated using a combination of molecular docking and molecular dynamics simulation and a density-functional theory (DFT) study. The results showed that rutin had the highest binding of 8.852 kcal/mol. However, after the molecular dynamics simulation was run for 50 ns, the ligand 6-prenylnaringenin via MM-PBSA calculation showed the most positive value of 106.760 kJ/mol. In addition, 6-prenylnaringenin is the most stable ligand via the analysis of root-mean-square deviation backbone (RMSDBb), root-mean-square deviation c-alpha (RMSDCa), root-mean-square fluctuation (RMSF), solvent-accessible surface area (SASA), radius of gyration (Rg), and the hydrogen bond formation. We conclude that 6-prenylnaringenin has a tight and stable bond with the targeted DBP protein. Finally, we propose the use of 6-prenylnaringenin as a potential antimalarial compound via in silico studies. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
175 KiB  
Abstract
Investigation of the Antibacterial Activity of Essential Oil from Cymbopogon citratus Leaves against Gram-Negative Bacteria
by Bernardina de Paixão Santos, Dicla Aline Semedo da Veiga, Francisco Sérgio da Silva Sousa, Everton Vieira da Silva and Sávio Benvindo Ferreira
Proceedings 2024, 103(1), 67; https://doi.org/10.3390/proceedings2024103067 - 12 Apr 2024
Viewed by 312
Abstract
Gram-negative bacteria cause a multitude of infections in humans and, over time, many have developed resistance to conventional antibiotics, making available treatments less effective [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
125 KiB  
Abstract
Understanding Ciguatoxin-Induced CNS Depression and Evaluating Piperine as a Therapeutic Strategy
by Vishesh Kumar Maurya
Proceedings 2024, 103(1), 68; https://doi.org/10.3390/proceedings2024103068 - 12 Apr 2024
Viewed by 391
Abstract
Introduction: Ciguatoxin (CTX) is a potent marine toxin known for its detrimental effects on the Central Nervous System (CNS), inducing symptoms of depression and neurological dysfunction. The nervous system’s synapses’ threshold for opening voltage-gated sodium channels is reduced by ciguatoxin. Piperine, a bioactive [...] Read more.
Introduction: Ciguatoxin (CTX) is a potent marine toxin known for its detrimental effects on the Central Nervous System (CNS), inducing symptoms of depression and neurological dysfunction. The nervous system’s synapses’ threshold for opening voltage-gated sodium channels is reduced by ciguatoxin. Piperine, a bioactive compound found in black pepper, has shown promise as a potential treatment for CTX-induced CNS depression due to its neuroprotective properties. Methods: This review comprehensively examines studies investigating the effects of CTX on CNS depression and the potential therapeutic role of piperine. Various cell models, including Mus musculus cells (N2A), Zalophus californianus tissues and many others have been utilized to elucidate the mechanisms underlying CTX-induced CNS depression. Studies employing proteomic techniques such as 2D DIGE, MALDI-TOF/TOF, LC-MS/MS, and nanoLC-MS/MS have provided insights into the dysregulated proteins, pathways, and cellular responses associated with CTX toxicity. Additionally, investigation into the therapeutic effects of bioactive compound such as piperine has been conducted for marine toxins. Results: Studies have revealed that CTX exerts its CNS-depressant effects through dysregulation of calcium homeostasis, membrane depolarization, and disruption of neurotransmitter pathways. Furthermore, CTX-induced toxicity is associated with dysregulated proteins involved in neurodegenerative pathways, apoptosis, and excitotoxicity. Piperine has been shown to mitigate CTX-induced CNS depression by modulating oxidative stress, inflammation, and neurotransmitter imbalances. Mechanistically, piperine’s neuroprotective effects involve activation of NRF2 pathways, inhibition of apoptotic signaling, and modulation of neuronal excitability. Conclusions: The findings from this review underscore the potential of piperine as a therapeutic agent for mitigating CTX-induced CNS depression. More large-scale studies and clinical trials are required for subsequent research to demonstrate piperine’s effectiveness and safety as a treatment for CTX intoxication. Understanding the intricate mechanisms underlying CTX-induced CNS depression and the therapeutic effects of piperine could pave the way for novel interventions in managing ciguatera fish poisoning. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
138 KiB  
Abstract
From Function to Drug Discovery: Insights into Hypothetical Protein Rv1979c from Mycobacterium tuberculosis
by Mohamed Asif Shajahan and Tamilvanan Thangarasu
Proceedings 2024, 103(1), 69; https://doi.org/10.3390/proceedings2024103069 - 12 Apr 2024
Viewed by 405
Abstract
Mycobacterium tuberculosis is the causative agent of tuberculosis (TB), a highly contagious disease affecting millions of individuals globally [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
130 KiB  
Abstract
The Role of Amyloidogenesis in Cancer Development: An Investigation of Transcription Factors
by Marina V. Ryabinina, Andrew A. Zelinsky and Aleksandr A. Rubel
Proceedings 2024, 103(1), 70; https://doi.org/10.3390/proceedings2024103070 - 12 Apr 2024
Viewed by 301
Abstract
Cancer remains the leading cause of death due to a wide range of molecular mechanisms [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
134 KiB  
Abstract
Yeast Approach in Amyloidogenic Proteins Study
by Andrew A. Zelinsky, Marina V. Ryabinina, Yury O. Chernoff and Aleksandr A. Rubel
Proceedings 2024, 103(1), 71; https://doi.org/10.3390/proceedings2024103071 - 12 Apr 2024
Viewed by 284
Abstract
Self-reproducing protein aggregates of a fibrillar nature (amyloids) are associated with a number of animal and human diseases [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 129 KiB  
Abstract
Multilayer Immunohistochemical Analysis of Brain Tissue in Severe Traumatic Brain Injury
by Chloe L. T. Kam, Cengiz Guner, Shumaila Hasan, Christopher E. G. Uff and Ping K. Yip
Proceedings 2024, 103(1), 72; https://doi.org/10.3390/proceedings2024103072 - 12 Apr 2024
Viewed by 368
Abstract
Severe traumatic brain injury (TBI) is a complex disease, and understanding its injury-induced cellular pathobiology is vital to predicting outcomes and providing effective treatment and precision healthcare [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
134 KiB  
Abstract
Anticancer Effects of the Potential BET Inhibitor CBL0137 on Breast Cancer Cells
by Valeriia Popova, Varvara Maksimova, Evgeniya Lylova, Anzhelika Bukina, Marianna Yakubovskaya and Kirill Kirsanov
Proceedings 2024, 103(1), 73; https://doi.org/10.3390/proceedings2024103073 - 12 Apr 2024
Viewed by 359
Abstract
Breast cancer (BC) is a complex disease driven by a combination of genetic mutations and epigenetic modifications. In particular, the overexpression of BET family proteins (BETs) has emerged as a key epigenetic aberration contributing to BC pathogenesis. CBL0137 (CBL), a small-molecule compound, has [...] Read more.
Breast cancer (BC) is a complex disease driven by a combination of genetic mutations and epigenetic modifications. In particular, the overexpression of BET family proteins (BETs) has emerged as a key epigenetic aberration contributing to BC pathogenesis. CBL0137 (CBL), a small-molecule compound, has shown promise as an inhibitor of BETs in HeLa TI cells. In this study, we aimed to assess the anticancer effects of CBL in vitro and evaluate its impact on the expression of BETs in BC cells. Cells of three subtypes of BC (MCF7, MDA-MB-231, SKBR3) were used in this study. Cytotoxic effects were analyzed using the MTT assay. Effects on cell cycle and apoptosis were assessed using FACS with PI and FITC-Annexin staining. The level of BETs (BRD2, BRD3, BRD4) was determined by Western blotting. CBL demonstrated a significant reduction in BС cell viability with an IC50 value of approximately 1 μM for all cell lines after 72h of exposure and 20 μM after 24h. CBL treatment resulted in an increase in cells in the G2/M phase in MCF7 and SKBR3 cells after 24h and 72h of action, as well as in MDA-MB-231 cells after 24h. In MCF7 cells, the influence of CBL led to apoptotic changes characterized by a slight elevation in the early apoptotic population. Treatment of MDA-MB-231 cells with CBL resulted in a decrease in the expression of BRD2, BRD3, and BRD4 proteins, while treatment of MCF7 cells led to a reduction in BRD3 and BRD4 protein levels. No significant changes in the amount of BET proteins were observed in SKBR3 cells. In conclusion, the presented data offer valuable insights into the mechanisms of action of CBL, providing a basis for further investigation into its therapeutic potential in BC treatment. This research was funded by the RSF (no. 21-75-10163). Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
127 KiB  
Abstract
Application of In Silico Computational Biology Strategies and Gene Expression Analysis to Demonstrate Mechanism of Oral Cancer Cell Death by a Natural Peptide
by Dominic Augustine
Proceedings 2024, 103(1), 74; https://doi.org/10.3390/proceedings2024103074 - 12 Apr 2024
Viewed by 406
Abstract
Introduction: This research work is designed to identify biomolecules from Earthworm Coelomic Fluid (ECF) of Eudrilus Eugeniae (EE) that can inhibit cancer cellproliferation [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
128 KiB  
Abstract
Computational Drug Repositioning of Mast Cell Stabilizers against Human Protease-Activated Receptor 2 (PAR2) Involved in Rheumatoid Arthritis
by Khushboo Choudhury, Ram Singh Purty and Kanika Khoba
Proceedings 2024, 103(1), 75; https://doi.org/10.3390/proceedings2024103075 - 12 Apr 2024
Viewed by 355
Abstract
Protease-activated receptor 2 (PAR2) plays a pivotal role in activating pain and inflammation pathways in rheumatoid arthritis (RA), contributing to cartilage destruction, synovial inflammation, and heightened joint pain [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 138 KiB  
Abstract
The Potentiate Production of Phycobiliprotein from Oscillatoria sp. for Its Application as a Food Coating Agent and Microbial Inhabitant
by Nadia Sharif, Uzma Nihar, Neelma Munir, Rakhshinda Sadiq, Syed Ali Raza Shah and Zainul Abideen
Proceedings 2024, 103(1), 76; https://doi.org/10.3390/proceedings2024103076 - 12 Apr 2024
Viewed by 260
Abstract
Phycobiliproteins (PBPs) are fluorescent proteins of numerous colors with several highly conserved structural and physicochemical characteristics [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
161 KiB  
Abstract
Antibacterial Action of Lippia origanoides Essential Oil
by Francisco Sérgio da Silva Sousa, Dicla Aline Semedo da Veiga, Bernardina De Paixão Santos, Rafaelle Cavalcanti de Lira and Sávio Benvindo Ferreira
Proceedings 2024, 103(1), 77; https://doi.org/10.3390/proceedings2024103077 - 12 Apr 2024
Viewed by 328
Abstract
Bacterial resistance to antibiotics makes infections increasingly difficult to fight. In this context, the antimicrobial capacity of Lippia origanoides proved to be a relevant alternative. The purpose of this review is to evaluate the antibacterial activity of this essential oil against bacterial strains. [...] Read more.
Bacterial resistance to antibiotics makes infections increasingly difficult to fight. In this context, the antimicrobial capacity of Lippia origanoides proved to be a relevant alternative. The purpose of this review is to evaluate the antibacterial activity of this essential oil against bacterial strains. This is a narrative review of the literature using the following guiding question: “Does Lippia origanoides essential oil have antimicrobial activity against bacterial strains?”. The descriptors “Lippia origanoides” and “Antimicrobial activity” were applied to the PubMed, Virtual Health Library (VHL) and Embase databases. The inclusion criteria were as follows: contain, whether in the title, abstract or body of the text, a relationship with the antibacterial activity of L. origanoides, and the possibility of accessing the full article. A total of 62 articles were found and 19 studies were chosen. A total of 13 bacteria were analyzed in the tests and the Minimum Inhibitory Concentration (MIC) was as follows: Bacillus cereus (0.62 μL/mL), Bacillus subtilis (1.25 μL/mL), Staphylococcus aureus (1.25–60 μL/mL), Chromobacterium violaceum (0.37 μL/mL), Escherichia coli (0.15–60 μL/mL), Pseudomonas aeruginosa (240 μL/mL), Salmonella cholerasuis (30 μL/mL), Salmonella thypimurium (1.25 μL/mL) and Vibrio parahaemolyticus (0.313 μL/mL). In Bifidobacterium breve and Lactobacillus acidophilus, the Minimum Bactericidal Concentration (MBC) was, respectively, 50 μL/mL and 3.135 μL/mL. In Staphylococcus epidermidis and Salmonella enteritidis, there was only MIC50 (concentration to inhibit 50% of the sample), specifically, 0.37–3.0 μL/mL and 0.37 μL/mL. In total, 27.3% of articles evaluated the antibiofilm capacity of L. origanoides, and the inhibition of biofilm formation reached more than 70% in E. coli and S. aureus. Lippia origanoides essential oil revealed antimicrobial activity in all studies. Ultimately, P. aeruginosa proved to be a strain that still requires further experimentation. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
147 KiB  
Abstract
In Silico Antimicrobial Potential of Some Flavonoids from Retama sphaerocarpa: Molecular Docking Studies, Pharmacokinetics and Toxicity Prediction
by Safia Derbali and Tarek Benmeddour
Proceedings 2024, 103(1), 78; https://doi.org/10.3390/proceedings2024103078 - 12 Apr 2024
Viewed by 259
Abstract
Abstract: Flavonoids are one of the largest classes of secondary metabolites that have been shown to be potent antimicrobials against a wide range of pathogenic organisms in vitro [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
136 KiB  
Abstract
Untargeted Proteomics Approach to Study Congenital Hearing Loss Cases
by Lucky Thakkar, Manjunath Dandinarasaiah and Suresh B. Arakera
Proceedings 2024, 103(1), 79; https://doi.org/10.3390/proceedings2024103079 - 12 Apr 2024
Viewed by 248
Abstract
Introduction: Congenital Hearing Loss (CHL) is considered the most prevalent chronic condition among children [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 133 KiB  
Abstract
Analysis of the Amyloid-like Properties of COL2A1 Protein
by Aleksandra Brukkel, Andrew A. Zelinsky, Marina V. Ryabinina and Aleksandr A. Rubel
Proceedings 2024, 103(1), 80; https://doi.org/10.3390/proceedings2024103080 - 12 Apr 2024
Viewed by 258
Abstract
Amyloids are proteins which exist in the form of insoluble aggregates and possess a characteristic cross-beta structure [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
127 KiB  
Abstract
Molecular Structure Considerations for the Possibility of Sequence-Dependent DNA Resonances
by Ivan Savelev, Alexandre A. Vetcher, Nelli Zyryanova, Richard A. Miller and Max Myakishev-Rempel
Proceedings 2024, 103(1), 81; https://doi.org/10.3390/proceedings2024103081 - 12 Apr 2024
Viewed by 283
Abstract
For years, the mechanisms of non-chemical and non-contact communication between cells and organisms have not been studied to the same extent as those associated with the chemical mediators [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 136 KiB  
Abstract
Cationic Linear Scorpion Peptide Mucroporin Displays Antimicrobial Activity against Neisseria Subflava
by Anastasia Micha, Tolis Panayi, Christos Petrou and Yiannis Sarigiannis
Proceedings 2024, 103(1), 82; https://doi.org/10.3390/proceedings2024103082 - 12 Apr 2024
Viewed by 279
Abstract
The emergence of antibiotic resistance makes the development of a new generation of powerful antimicrobials able to kill super bugs more essential than ever [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 153 KiB  
Abstract
The Development of an Early Diagnostic Method for Alzheimer’s Disease
by Yulia K. Styufliaeva, Andrew A. Zelinsky, Oksana A. Malikova and Aleksandr A. Rubel
Proceedings 2024, 103(1), 83; https://doi.org/10.3390/proceedings2024103083 - 12 Apr 2024
Viewed by 331
Abstract
Alzheimer’s disease (AD) is the most common form of dementia, characterized by neuronal degeneration and death [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
125 KiB  
Abstract
Structural Diversity of Oligosaccharides Isolated from Milk of Various Cow Breeds
by Desh Deepak A. P. Singh Chauhan, Manisha Shukla, Desh Deepak and Sarita Chauhan
Proceedings 2024, 103(1), 84; https://doi.org/10.3390/proceedings2024103084 - 12 Apr 2024
Viewed by 309
Abstract
Cow milk oligosaccharides (CMOs) have garnered significant attention due to their association with enhanced infant immune system development, defence against pathogens, and anti-inflammatory properties [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
128 KiB  
Abstract
Tumor Budding—A Histomorphological Representation of Epithelial–Mesenchymal Transition Mechanism in Metastasis of Oral Squamous Cell Carcinoma
by S. V. Sowmya
Proceedings 2024, 103(1), 85; https://doi.org/10.3390/proceedings2024103085 - 12 Apr 2024
Viewed by 255
Abstract
Background: Over 90% of oral cancer deaths are due to metastases, facilitated by a mechanism, epithelial–mesenchymal transition (EMT), that demonstrates a mesenchyme-like phenotype of epithelial cells [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 141 KiB  
Abstract
Biosynthesis of Gold Nanoparticles from Amaranthus gangeticus s. and Its Anti-Diabetic Activity on Streptozotocin Induced Rats
by Akila Elias, Prasanna V. Habbu and Sudhir Iliger
Proceedings 2024, 103(1), 86; https://doi.org/10.3390/proceedings2024103086 - 12 Apr 2024
Viewed by 356
Abstract
Diabetes mellitus, a metabolic disorder, elevates blood sugar levels, resulting in complications affecting various bodily systems such as the nerves, eyes, kidneys, and other organs. The administration of oral antihyperglycemic medications can potentially induce adverse effects, especially when combined, leading to drug–drug interactions. [...] Read more.
Diabetes mellitus, a metabolic disorder, elevates blood sugar levels, resulting in complications affecting various bodily systems such as the nerves, eyes, kidneys, and other organs. The administration of oral antihyperglycemic medications can potentially induce adverse effects, especially when combined, leading to drug–drug interactions. To address these challenges, there is potential in introducing innovative antioxidant compounds targeted at specific organs for therapeutic action. Currently, metal nanoparticles have gained prominence in healthcare due to their exceptional biocompatibility, stability, cost-effectiveness, and environmentally friendly attributes. In this study, green synthesis methods were employed to produce gold nanoparticles (AuNPs) using the Amaranthus gangeticus plant, known for its antidiabetic properties. The leaf extract of A. gangeticus was utilized to synthesize these green AuNPs using a 1 mM gold chloride solution. Various characterization techniques, including UV spectroscopy, FTIR analysis, X-ray diffraction analysis (XRD), transmission electron microscopy (TEM), and scanning electron microscopy (SEM), were employed to analyse the synthesized herbal-mediated AuNPs. Additionally, the in vivo antidiabetic efficacy of the produced AuNPs was evaluated. The induction of diabetes using STZ resulted in elevated levels of blood glucose, cholesterol, triglycerides, LDL, and VLDL and a significant loss in body weight. However, these detrimental effects were mitigated after treating diabetic rats for 28 days, with significant improvements observed at a dosage range of 1 mg/kg of AuNPs compared to the group treated solely with the plant extract. The findings suggest that the plant-mediated AuNPs demonstrate significant potential as antidiabetic agents compared to the crude extract alone. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
2 pages, 129 KiB  
Abstract
Purine Stretches Are Avoided by Cancer Mutations
by Aleksandr V. Vikhorev, Ivan Savelev, Oksana Polesskaya, Michael M. Rempel, Alexandre A. Vetcher and Max Myakishev-Rempel
Proceedings 2024, 103(1), 87; https://doi.org/10.3390/proceedings2024103087 - 12 Apr 2024
Viewed by 246
Abstract
Purine stretches, sequences of adenine (A) and guanine (G) in DNA, play critical roles in binding regulatory protein factors and influence gene expression by affecting DNA folding. Both purines can exist in the enol-amine form (often referred to as the imidazole form) and [...] Read more.
Purine stretches, sequences of adenine (A) and guanine (G) in DNA, play critical roles in binding regulatory protein factors and influence gene expression by affecting DNA folding. Both purines can exist in the enol-amine form (often referred to as the imidazole form) and keto-imine forms. The enol-amine form is more stable and biologically significant than the keto-imine form. This enhanced stability is attributed to the fully conjugated ring system in the enol-amine form, which adheres to Hückel’s rule and becomes aromatic. The presence of a delocalized pi-electron cloud within this fully conjugated ring system results in an aromatic molecule. In contrast, the keto-imine form lacks full conjugation in its ring system due to a broken double bond between the nitrogen and carbon atoms, rendering it non-aromatic. This study investigates the relationship between purine stretches and cancer development, which makes mechanistic sense considering the aromaticity of purines in the purine stretches flanking each mutation. A pronounced avoidance of typical cancer mutations of long purine stretches in typical types of cancer was observed in the public data of patients in intergenic regions, suggesting the role of intergenic sequences in chromatin reorganization and gene regulation. A statistically significant shortening of purine stretches in cancerous tumors (p-value 0.0001) was found. The insights into the aromatic nature of purines and their stacking energies explain the role of purine stretches in DNA structure, contributing to their role in cancer progression. This research lays the groundwork for understanding the nature of purine stretches, emphasizing their importance in gene regulation and chromatin restructuring, and offers potential avenues for novel cancer therapies and insights into cancer etiology. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
199 KiB  
Abstract
Antibacterial Effect of Cymbopogon citratus Essential Oil against Gram-Positive Bacterial Strains
by Dicla Aline Semedo da Veiga, Bernardina de Paixão Santos, Francisco Sérgio da Silva Sousa, Everton Vieira da Silva and Sávio Benvindo Ferreira
Proceedings 2024, 103(1), 88; https://doi.org/10.3390/proceedings2024103088 - 12 Apr 2024
Viewed by 203
Abstract
Cymbopogon citratus, popularly known as “lemongrass”, is an herbaceous species originating from India, belonging to the Poaceae family, to which it is acclimatized in several typical regions of Brazil [...] Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
127 KiB  
Abstract
Pulegone Application Trends: Exploration of Uses Based on Leading Patent Applicants
by Reda El Boukhari and Ahmed Fatimi
Proceedings 2024, 103(1), 89; https://doi.org/10.3390/proceedings2024103089 - 12 Apr 2024
Viewed by 170
Abstract
Pulegone is a natural biomolecule that may be found in essential oils from many medicinal and aromatic plants, especially those from the Lamiaceae family. It is known for its distinguished minty aroma and taste, and it has been studied for its potential use [...] Read more.
Pulegone is a natural biomolecule that may be found in essential oils from many medicinal and aromatic plants, especially those from the Lamiaceae family. It is known for its distinguished minty aroma and taste, and it has been studied for its potential use in various therapies due to its antibacterial, anti-inflammatory, and cytotoxic effects. Even with its recognized toxicity, pulegone is still widely used as a versatile and valuable compound in many industrial fields. To identify trends in the application of pulegone, we prospected patents from specialized patent databases. A search was carried out on the titles, abstracts, and claims of the patents. The patents were then sorted by applicant names, and then the applicant patent portfolio was studied to identify the targeted trends. The patents reveal that the leading jurisdiction is the United States, with about 44% of the filed patents. The study of the top 10 applicants allows us to distinguish three major areas of innovation. The field of daily-use cleaning, health, and hygiene encompasses 121 patents that take advantage of the aromatic characteristics of pulegone to provide hygiene and cosmetic products. The plant protection field stands out with 58 patents. In this field, pulegone is used for its pesticide and pest-repellent action to develop crop protection products. The third field is the use of pulegone with cannabinoids for pharmacological innovations as well as for recreational uses, as represented by 42 patents. The pulegone-related patents were based on preparations for medical, dental, or toiletry purposes. Pulegone is valued for its refreshing minty scent; it is utilized in perfumes and body care, as well as being an odor neutralizer and odorizing agent for toilet and cleaning compositions. Furthermore, pulegone is used as a natural pesticide and pest repellent, reducing the need for chemicals. Full article
(This article belongs to the Proceedings of The 3rd International Electronic Conference on Biomolecules)
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