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6 pages, 489 KiB

Open AccessProceeding Paper

Recent Advances in Understanding the Keys Factors Influencing Pressurized Liquid Extraction of Secondary Metabolites: A Comprehensive Review

by Pauline Donn, Sepidar Seyyedi-Mansour, Franklin Chamorro, Paula Garcia-Oliveira, Javier Echave, Ana Perez-Vazquez, Paula Barciela, Lucia Cassani and Miguel Angel Prieto

Biol. Life Sci. Forum 2024, 35(1), 1; https://doi.org/10.3390/blsf2024035001 - 15 Jul 2024

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Abstract

Pressurized liquid extraction (PLE) has become a pivotal technology for extracting secondary metabolites (e.g., phenolic compounds) from botanical sources, with implications spanning across pharmaceuticals, nutraceuticals, and functional foods. This communication provides an overview of recent advancements in understanding the key factors influencing the [...] Read more.

Pressurized liquid extraction (PLE) has become a pivotal technology for extracting secondary metabolites (e.g., phenolic compounds) from botanical sources, with implications spanning across pharmaceuticals, nutraceuticals, and functional foods. This communication provides an overview of recent advancements in understanding the key factors influencing the efficiency and selectivity of the PLE of these bioactive compounds. The optimization of PLE parameters, including pressure, temperature, and solvent characteristics, has been a focal point in recent research to enhance extraction yield and preserve the integrity of secondary metabolites. Investigations into the interaction of sample matrix properties, particle size, and solvent polarity have revealed nuanced effects on the extraction process, contributing valuable insights to developing targeted extraction protocols. Also, technological innovations, such as the utilization of green solvents and novel extraction techniques, are reshaping the landscape of PLE. Different studies exploring sustainable approaches not only enhance extraction efficiency but also align with the growing emphasis on environmentally friendly practices, paving the way for greener extraction processes. Collaborative efforts among researchers have led to a deeper understanding of the factors influencing PLE. Thus, this review highlights the recent progress in unraveling the complexities of the PLE of secondary metabolites, fostering a foundation for optimizing extraction methodologies and leveraging these bioactive compounds for diverse applications. Full article

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5 pages, 1047 KiB

Open AccessProceeding Paper

Lung Cancer Biomarker Identification from Differential Expression Analysis Using RNA-Seq Data for Designing Multitargeted Drugs

by Syed Naseer Ahmad Shah and Rafat Parveen

Biol. Life Sci. Forum 2024, 35(1), 2; https://doi.org/10.3390/blsf2024035002 - 7 Aug 2024

Viewed by 943

Abstract

Lung cancer presents a global health challenge, demanding exploration of its molecular intricacies for treatment targets. The goal is to delay progression and intervene early, reducing patient burden. Novel biomarkers are urgently needed for early diagnosis. We analysed RNA sequencing on lung cancer [...] Read more.

Lung cancer presents a global health challenge, demanding exploration of its molecular intricacies for treatment targets. The goal is to delay progression and intervene early, reducing patient burden. Novel biomarkers are urgently needed for early diagnosis. We analysed RNA sequencing on lung cancer samples from NCBI’s SRA database. Using Bioconductor in R, we identified key genes, including hub genes TOP2A and TMEM100, crucial for cellular processes. Additionally, FDA-approved drugs are repurposed as multitargeted inhibitors against upregulated genes, validated through simulations. This approach aims to inhibit the function of crucial genes, potentially offering effective treatment for lung cancer within a comprehensive strategy. Full article

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9 pages, 1536 KiB

Open AccessProceeding Paper

Insights into Toxicity: Molecular Mechanisms of Aflatoxin B1 and Ochratoxin A in Spices

by Maria Carpena, Ana Perez-Vazquez, Paula Barciela, Kinga Noras, Joanna Trafiałek, Monika Trząskowska and Miguel A. Prieto

Biol. Life Sci. Forum 2024, 35(1), 3; https://doi.org/10.3390/blsf2024035003 - 9 Aug 2024

Viewed by 1246

Abstract

The European Rapid Alert System for Food and Feed (RASFF) has shown 1133 notifications for spices and herbs in the last 10 years (2013–2023). The analysis of these notifications indicated that 58.7% (665 alerts) of the alerts corresponded to chemical hazards. Mycotoxins corresponding [...] Read more.

The European Rapid Alert System for Food and Feed (RASFF) has shown 1133 notifications for spices and herbs in the last 10 years (2013–2023). The analysis of these notifications indicated that 58.7% (665 alerts) of the alerts corresponded to chemical hazards. Mycotoxins corresponding to aflatoxin B1 (24 alerts) and ochratoxin A (39 alerts) were found in 19.4% of the samples. Due to the presence of these biological hazards in foodstuffs, comprehensive knowledge of their molecular mechanisms of action is required as part of the risk assessment strategy. Aflatoxin B1 (AFB1) is a known potent carcinogen that has been linked to liver cancer in humans and animals. Its toxic effects consist of forming DNA adducts, causing mutations, and interfering with cellular processes. On the other hand, ochratoxin A (OTA) is known to be nephrotoxic, hepatotoxic, carcinogenic, and immunosuppressive in both humans and animals. OTA targets the kidneys and liver, exerting its toxic effects similarly to AFB1, i.e., through DNA damage, oxidative stress, and interference with cellular processes. This communication reviews the molecular mechanism of action underlying the toxicity of AFB1 and OTA found in herbs and spices in Europe, focusing on their biosynthesis, toxicodynamics, interaction with cellular components, and the resulting biochemical pathways leading to adverse health effects. Moreover, it discusses potential strategies for mitigating their presence in spices, emphasizing the importance of hazard characterization for effective risk management and regulation. Full article

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6 pages, 587 KiB

Open AccessProceeding Paper

MspGI Restriction–Modification System and Its Flanking Genes of Microbacterium sp. Gd 4-13

by Alfiya K. Yunusova, Elena V. Spirina, Valeriya N. Antipova and Rimma I. Artyukh

Biol. Life Sci. Forum 2024, 35(1), 4; https://doi.org/10.3390/blsf2024035004 - 20 Aug 2024

Viewed by 503

Abstract

Bacteria have defense systems against the penetration of foreign DNA (phages and plasmids). Some defense systems protect bacteria from phage penetration into the cell, while others block phage replication. Antiphage defense systems are often located next to already known defense systems (RM system, [...] Read more.

Bacteria have defense systems against the penetration of foreign DNA (phages and plasmids). Some defense systems protect bacteria from phage penetration into the cell, while others block phage replication. Antiphage defense systems are often located next to already known defense systems (RM system, CRISP-Cas system, and others). In this work, the genetic sequence flanking the restriction–modification system of Microbacterium sp. strain Gd 4-13 was analyzed. The genes of the endonuclease HNH, hypothetical proteins, recombinase, and helicase/ATPase have been identified. Their combination and some analogy with the DISARM, BREX, and Druantia systems allow us to hypothesize that, next to the MspGI restriction–modification system, there is another defense system, and together they create an island of antiphage defense in the bacteria in vivo. Full article

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6 pages, 1847 KiB

Open AccessProceeding Paper

Study of Carbon Nanotube–Bovine Serum Albumin Interaction Using the Tritium Radiotracer Technique and Supercomputer Simulation

by Vitalii A. Bunyaev, Artem V. Sinolits and Gennadii A. Badun

Biol. Life Sci. Forum 2024, 35(1), 5; https://doi.org/10.3390/blsf2024035005 - 21 Aug 2024

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Abstract

Bovine serum albumin (BSA) was ³H-labeled via a tritium thermal activation method that allowed quantifying BSA adsorption on single-walled carbon nanotubes (SWCNTs) to be 740 mg/mg, which leads to the ζ-potential of the BSA–SWCNT complex changing from −10 to −16 mV. Supercomputer [...] Read more.

Bovine serum albumin (BSA) was ³H-labeled via a tritium thermal activation method that allowed quantifying BSA adsorption on single-walled carbon nanotubes (SWCNTs) to be 740 mg/mg, which leads to the ζ-potential of the BSA–SWCNT complex changing from −10 to −16 mV. Supercomputer simulations were carried out with Gromacs and PM7 with MOPAC2016 with Berendsen, Nosè–Hoover and Parrinello–Rahman algorithms. The dominant interactions between BSA and SWCNTs are found to be hydrophobic, and hydrogen bonds are also present. The mean total energy of the Coulomb and Van der Waals interactions is −646 ± 8 kJ/mol, by gmx energy. Full article

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11 pages, 11581 KiB

Open AccessProceeding Paper

Identification of New Potential Cyclooxygenase-2 Inhibitors Using Structure-Based Virtual Screening, Molecular Dynamics and Pharmacokinetic Modelling

by Imene Derardja, Redouane Rebai, Mohamed Esseddik Toumi, Farouk Fethi Kebaili and Abdennacer Boudah

Biol. Life Sci. Forum 2024, 35(1), 6; https://doi.org/10.3390/blsf2024035006 - 6 Sep 2024

Viewed by 580

Abstract

Non-steroidal anti-inflammatory drugs (NSAIDs) are a class of drugs commonly used worldwide for their analgesic and antipyretic effects. However, an overdose of NSAIDs can have negative effects on various systems, including the cardiovascular, gastrointestinal, hepatic, renal, and neural systems. The search for new, [...] Read more.

Non-steroidal anti-inflammatory drugs (NSAIDs) are a class of drugs commonly used worldwide for their analgesic and antipyretic effects. However, an overdose of NSAIDs can have negative effects on various systems, including the cardiovascular, gastrointestinal, hepatic, renal, and neural systems. The search for new, safer, and more effective anti-inflammatory agents has now become a necessity. The aim of the present study is to identify new natural compounds that act against cyclooxygenase-2 (COX-2), one of the main anti-inflammatory targets, using computational approaches. For this purpose, molecular docking and MM/GBSA binding free energy calculations were utilized to discover new natural inhibitors for COX-2. In addition, several prediction tools, such as SwissADME server, QikProp, and Pro-Tox II, were used in this study to elucidate the pharmacokinetic properties, drug-likeness ability, safety, and the lethal dose (LD₅₀) of the studied compounds. The results of molecular docking have indicated that among all phytochemicals under examination, canniprene, oroxylin A and luteolin show high docking scores and binding affinities toward COX-2 (−10.587, −10.254, and −9.494 Kcal.mol⁻¹, respectively) when compared with the reference inhibitor. Moreover, the top hits demonstrated stability during molecular dynamics simulation and were found to conform to drug-like rules with good bioavailability. Toxicity parameters of the best hits indicate that these compounds could be safe COX-2 inhibitors, but further in vitro and in vivo studies are needed to confirm these findings. Full article

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8 pages, 1443 KiB

Open AccessProceeding Paper

The Evaluation of Citrus bergamia Phytochemicals as Potential Cholesterol-Lowering Agents against HMG-CoA Reductase: An In Silico Molecular Docking Study

by Nesteve John Agosto, Patricia Blanch Alambatin, Joemer Bacalso, JC Cabisada and Beatriz Danica Carating

Biol. Life Sci. Forum 2024, 35(1), 7; https://doi.org/10.3390/blsf2024035007 - 20 Sep 2024

Viewed by 1173

Abstract

Elevated cholesterol levels, or hypercholesterolemia, have been recognized as the underlying cause of various diseases, most notably cardiovascular diseases. Unfortunately, most cholesterol-lowering (or anti-hypercholesterolemic) drugs are associated with several adverse effects, emphasizing the need to identify new cholesterol-lowering strategies. Natural products, particularly bioactive [...] Read more.

Elevated cholesterol levels, or hypercholesterolemia, have been recognized as the underlying cause of various diseases, most notably cardiovascular diseases. Unfortunately, most cholesterol-lowering (or anti-hypercholesterolemic) drugs are associated with several adverse effects, emphasizing the need to identify new cholesterol-lowering strategies. Natural products, particularly bioactive phytochemicals, have gained significant attention for their safer profile, fewer side effects, and potential health benefits, including cholesterol-lowering properties. The citrus fruit bergamot (Citrus bergamia) is renowned for its diverse array of bioactive phytochemicals. In this study, an in silico approach was utilized to assess the cholesterol-lowering potential of phytochemicals derived from C. bergamia. Molecular docking using AutoDock Vina of the selected phytochemicals was performed against the HMG-CoA reductase (HMGR), an enzyme targeted for hypercholesterolemia. Our results indicated that among the selected 20 phytochemicals, 8, namely eriocitrin, narirutin, scolymoside, neodiosmin, brutieridin, neohesperidin, rhoifolin, and naringin, exhibited better binding affinities than the conventional HMGR inhibitor, atorvastatin (−9.2 kcal/mol). Notably, among these top eight phytochemicals, eriocitrin displayed the most favorable binding affinity of −10.0 kcal/mol. These findings strongly imply that C. bergamia possesses potential HMGR-inhibitory activity and anti-hypercholesterolemic activity, primarily due to the high binding affinities exhibited by its phytochemical constituents. Therefore, further studies must be considered to comprehensively explore the cholesterol-lowering properties of C. bergamia phytochemicals. Full article

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9 pages, 521 KiB

Open AccessProceeding Paper

Protection of Selenium Against Methylmercury in the Human Body: A Comprehensive Review of Biomolecular Interactions

by A. O. S. Jorge, F. Chamorro, M. Carpena, J. Echave, A. G. Pereira, M. Beatriz P. P. Oliveira and M. A. Prieto

Biol. Life Sci. Forum 2024, 35(1), 8; https://doi.org/10.3390/blsf2024035008 - 18 Oct 2024

Viewed by 631

Abstract

Methylmercury (MeHg) contamination in seafood poses significant health risks to human populations worldwide, particularly neurotoxicity. Selenium protects against the toxicity of metals, such as mercury and inorganic arsenic, but at the same time, the loss of bioavailability of Se caused by these pollutants [...] Read more.

Methylmercury (MeHg) contamination in seafood poses significant health risks to human populations worldwide, particularly neurotoxicity. Selenium protects against the toxicity of metals, such as mercury and inorganic arsenic, but at the same time, the loss of bioavailability of Se caused by these pollutants must also be taken into account. Several studies have performed a risk–benefit ratio evaluation. New criteria have been proposed to assess the risks of Hg exposure, the Se Health Benefit Value (HBVSe) and the Benefit–Risk Value (BRV), which allow the simultaneous evaluation of Hg exposures and dietary Se intakes. Additionally, changes in mercury bioaccessibility have been attributed to the cooking of fish that changes the conformation of native proteins. Various studies have shown that the benefits of consuming seafood outweigh the risks, especially when the protective effects of selenium are considered. This comprehensive review examines the biomolecular interactions underlying the protective effects of selenium against MeHg in the human body. We will discuss how selenium modulates MeHg toxicity, including its role in mitigating oxidative stress, preventing MeHg bioaccumulation, and facilitating detoxification pathways. Nevertheless, further research in the area is necessary to study the synergistic effects between the different variables to improve the understanding of the repercussions on health regarding fish and shellfish intake. Overall, this communication contributes to our understanding of the complex interplay between selenium and methylmercury in the human body and underscores the potential of selenium as a therapeutic agent for mitigating MeHg-related health risks. Full article

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7 pages, 590 KiB

Open AccessProceeding Paper

Exploring Algal Metabolism: Insights from Metabolomics and Computational Approaches

by Maria Carpena, Aurora Silva, Franklin Chamorro, Javier Echave, Ana Olivia S. Jorge, Maria Fátima Barroso and Miguel A. Prieto

Biol. Life Sci. Forum 2024, 35(1), 9; https://doi.org/10.3390/blsf2024035009 - 4 Nov 2024

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Abstract

Algae, despite being labeled as an underexplored biological source of chemical constituents, remain inadequately studied in terms of their metabolism. Metabolomics has emerged as a high-throughput technology to investigate the full metabolic profile of samples that could aid in the understanding and characterization [...] Read more.

Algae, despite being labeled as an underexplored biological source of chemical constituents, remain inadequately studied in terms of their metabolism. Metabolomics has emerged as a high-throughput technology to investigate the full metabolic profile of samples that could aid in the understanding and characterization of algae. By delving into their primary composition, particularly polysaccharides and phycobiliproteins, alongside secondary metabolites like polyphenols and pigments, researchers can uncover not only their rheological and nutritional properties but also their diverse biological activities. Given the growing interest in algae in food and related industries, innovative approaches should be explored to enhance the value of their functional components. In this sense, in the context of contemporary in-silico studies, metabolomics should be paired with computational methodologies, to develop novel techniques for studying biomolecular interactions. Molecular docking has emerged, with the function of predicting the atomic-level interaction between small molecules (ligands) and target proteins (proteins). This synergistic approach integrating both technologies could allow us to characterize algal profiles, evaluate their potential for bioactive properties, and better understand their metabolism. This work explores the development of metabolomic and computational strategies targeted toward the functional characterization of algae. By harnessing these technologies, we can unlock new possibilities for using algae in various industrial applications, paving the way for sustainable and innovative solutions in the future. Full article

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8 pages, 1212 KiB

Open AccessProceeding Paper

Antibacterial Properties of Dental Copolymer Modified with Monomers Possessing Quaternary Ammonium Groups

by Patryk Drejka, Marta Chrószcz-Porębksa, Alicja Kazek-Kęsik and Izabela Barszczewska-Rybarek

Biol. Life Sci. Forum 2024, 35(1), 10; https://doi.org/10.3390/blsf2024035010 - 13 Nov 2024

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Abstract

Dental caries are treated using dental composite restorative materials (DCRM). However, commercial DCRMs lack antibacterial activity. This research aimed to analyze the in vitro antibacterial activity of a series of copolymers consisting of a urethane–dimethacrylate monomer (UDMA), bisphenol A glycerolate dimethacrylate (Bis-GMA), triethylene [...] Read more.

Dental caries are treated using dental composite restorative materials (DCRM). However, commercial DCRMs lack antibacterial activity. This research aimed to analyze the in vitro antibacterial activity of a series of copolymers consisting of a urethane–dimethacrylate monomer (UDMA), bisphenol A glycerolate dimethacrylate (Bis-GMA), triethylene glycol dimethacrylate (TEGDMA) and urethane–dimethacrylate monomer with two quaternary ammonium groups and a 1,3-bis(1-isocyanate-1-methylethyl)benzene core (QAn+TMXDI, where n = 8, 10, or 12 is the number of carbon atoms in the N-alkyl substituent). QAn+TMXDI contents in copolymers were 20 and 40 wt.%. The results of the Staphylococcus aureus and Escherichia coli adhesion test demonstrated that the logCFU/mL decreased as the length of the N-alkyl chain decreased and QAn+TMXDI content increased. The copolymers of QA8+TMXDI 40 wt.%, Bis-GMA 40 wt.%, and TEGDMA 20 wt.% showed the highest antibacterial activity, with a logCFU/mL of 2.39 for S. aureus and no viable E. coli cells. Full article

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7 pages, 750 KiB

Open AccessProceeding Paper

Bromophenols in Red Algae: Exploring the Chemistry and Uncovering Biological Benefits of These Unknown Compounds

by Paula Barciela, Maria Carpena, Ana Perez-Vazquez, Aurora Silva, Ana Olivia S. Jorge and Miguel A. Prieto

Biol. Life Sci. Forum 2024, 35(1), 11; https://doi.org/10.3390/blsf2024035011 - 15 Nov 2024

Viewed by 386

Abstract

Bromophenols, which belong to the family of phenolic compounds, are halogenated secondary metabolites characterized by the incorporation of bromine atoms into the phenol ring structure, resulting in unique chemical properties. These compounds, synthesized as secondary metabolites by algae, exhibit different isomeric forms due [...] Read more.

Bromophenols, which belong to the family of phenolic compounds, are halogenated secondary metabolites characterized by the incorporation of bromine atoms into the phenol ring structure, resulting in unique chemical properties. These compounds, synthesized as secondary metabolites by algae, exhibit different isomeric forms due to bromine substitution at different positions within the phenol ring, showing variability among species. Bromine substitution not only confers specific chemical properties but also plays an important role in the ecological functions of bromophenols by inducing increased lipophilicity, which affects solubility and reactivity, an adaptive response to external conditions. Certain genera of red algae, such as Gracilaria and Rhodomela, have been identified as important sources of bromophenols. Research on bromophenols involves extraction, commonly using solvents such as methanol or methanol-dichloromethane, and identification and structural elucidation using advanced analytical techniques such as mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy for the precise determination of structure and configuration. Bromophenols display diverse biological activities, highlighting antimicrobial, antidiabetic, antiviral and antioxidant properties, which are closely related to their specific chemical structure. The importance of understanding the chemical group of bromophenols is underlined by their role in chemical defense mechanisms, contributing to potential biotechnological applications and broader contributions to the marine ecosystem. Therefore, this study is aimed to review the chemical characteristics and biological properties of bromophenols in red algae. Full article

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