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23 Results Found

  • Article
  • Open Access
30 Citations
3,239 Views
18 Pages

25 August 2023

Caffeoylquinic (5-CQA) and feruloylquinic (5-FQA) acids, found in coffee and other plant sources, are known to exhibit diverse biological activities, including potential antioxidant effects. However, the underlying mechanisms of these phenolic compou...

  • Article
  • Open Access
15 Citations
3,939 Views
15 Pages

Multifunctional Peptides from Spanish Dry-Cured Pork Ham: Endothelial Responses and Molecular Modeling Studies

  • Sara María Martínez-Sánchez,
  • Horacio Pérez-Sánchez,
  • José Antonio Gabaldón,
  • José Abellán-Alemán and
  • Silvia Montoro-García

28 August 2019

Food peptides contain a very wide range of diversified structures, which explains their diverse range of functional activities. Proatherogenic endothelium is related to vasoconstriction, inflammation, and oxidative stress. In this line, four syntheti...

  • Review
  • Open Access
1 Citations
1,105 Views
18 Pages

Docking in the Dark: Insights into Protein–Protein and Protein–Ligand Blind Docking

  • Muhammad Sohaib Roomi,
  • Giulia Culletta,
  • Lisa Longo,
  • Walter Filgueira de Azevedo,
  • Ugo Perricone and
  • Marco Tutone

22 November 2025

Blind docking predicts binding interactions between two molecular entities without prior knowledge of the binding site. This approach is essential because it explores the entire surface of the receptor to identify potential interaction sites. Blind d...

  • Article
  • Open Access
36 Citations
6,361 Views
14 Pages

17 August 2020

A novel coronavirus (severe acute respiratory syndrome coronavirus 2, SARS-CoV-2) has been the cause of a recent global pandemic. The highly contagious nature of this life-threatening virus makes it imperative to find therapies to counteract its diff...

  • Article
  • Open Access
1,150 Views
21 Pages

27 September 2025

Transketolase-like protein 1 (TKTL-1) has been implicated in altered cancer metabolism, yet its structure and molecular function remain poorly understood. In this study, we established a homology model of TKTL-1 using multiple templates and validated...

  • Article
  • Open Access
6 Citations
4,080 Views
19 Pages

3 September 2023

The entry of SARS-CoV-2 into the host cell is mediated by its S-glycoprotein (SGP). Sulfated glycans bind to the SGP receptor-binding domain (RBD), which forms a ternary complex with its receptor angiotensin converting enzyme 2. Here, we have conduct...

  • Article
  • Open Access
15 Citations
5,548 Views
10 Pages

13 July 2021

The interaction of the spike (S) glycoprotein of SARS-CoV-2 with angiotensin-converting enzyme 2 (ACE2) correlates with increased virus transmissibility and disease severity in humans. Two strategies may be considered for preventive or treatment purp...

  • Article
  • Open Access
1,157 Views
16 Pages

Gardeniae Fructus Enhances Skin Barrier Function via AHR-Mediated FLG/LOR/IVL Expression

  • Kaile Zong,
  • Fangni Zhou,
  • Kewei Xu,
  • Junzi Dong,
  • Qing Huang and
  • Jianxin Wu

16 September 2025

Gardeniae Fructus (GF), a traditional Chinese medicine rich in iridoids, has demonstrated skin-improving effects. However, its mechanisms for enhancing epidermal barrier function remain unclear. In this study, the iridoids in GF were characterized us...

  • Article
  • Open Access
58 Citations
6,538 Views
22 Pages

Designing a Multi-Epitope Vaccine against Chlamydia trachomatis by Employing Integrated Core Proteomics, Immuno-Informatics and In Silico Approaches

  • Sidra Aslam,
  • Sajjad Ahmad,
  • Fatima Noor,
  • Usman Ali Ashfaq,
  • Farah Shahid,
  • Abdur Rehman,
  • Muhammad Tahir ul Qamar,
  • Eid A. Alatawi,
  • Fahad M. Alshabrmi and
  • Khaled S. Allemailem

3 October 2021

Chlamydia trachomatis, a Gram-negative bacterium that infects the rectum, urethra, congenital sites, and columnar epithelium of the cervix. It is a major cause of preventable blindness, ectopic pregnancy, and bacterial sexually transmitted infections...

  • Article
  • Open Access
1 Citations
1,654 Views
36 Pages

3 September 2025

Endolysins, phage-derived enzymes capable of lysing bacterial cell walls, hold significant promise as novel antimicrobials against resistant Gram-positive and Gram-negative pathogens. In this study, we undertook an integrative approach combining exte...

  • Communication
  • Open Access
7 Citations
4,169 Views
12 Pages

Peptide Binding Sites of Connexin Proteins

  • Ágnes Simon,
  • Csaba Magyar,
  • László Héja and
  • Julianna Kardos

14 July 2020

Intercellular gap junction (GJ) contacts formed by the coupling of connexin (Cx) hemichannels (HCs) embedded into the plasma membranes of neighboring cells play significant role in the development, signaling and malfunctions of mammalian tissues. Und...

  • Article
  • Open Access
588 Views
20 Pages

Antibiofilm and Immunomodulatory Effects of Cinnamaldehyde in Corneal Epithelial Infection Models: Ocular Treatments Approach

  • Ashraf Khalifa,
  • Muthukumar Thangavelu,
  • Krishnaraj Thirugnanasambantham and
  • Hairul-Islam M. Ibrahim

Background: Bacterial keratitis, a major cause of corneal blindness, is frequently associated with biofilm-forming pathogens such as Klebsiella pneumoniae. Cyclic-di-GMP (c-di-GMP) controls biofilm development, which increases antibiotic resistance a...

  • Communication
  • Open Access
23 Citations
4,018 Views
17 Pages

16 July 2021

(1) Background: ochratoxins are mycotoxins produced by filamentous fungi with important implications in the food manufacturing industry due to their toxicity. Decontamination by specific ochratoxin-degrading enzymes has become an interesting alternat...

  • Article
  • Open Access
4 Citations
1,666 Views
15 Pages

18 October 2024

Multidrug resistance (MDR) remains a significant challenge in cancer therapy, primarily due to the overexpression of transmembrane drug transporters, with P-glycoprotein (P-gp) being a central focus. Consequently, the development of P-gp inhibitors h...

  • Article
  • Open Access
2 Citations
1,181 Views
25 Pages

In Silico Evaluation of Terpene Interactions with Inflammatory Enzymes: A Blind Docking Study Targeting Arachidonic Acid Metabolism

  • Djeni Cherneva,
  • Kaloyan Mihalev,
  • Ivelin Iliev,
  • Nadya Agova,
  • Galina Yaneva,
  • Tsonka Dimitrova and
  • Svetlana Georgieva

4 July 2025

Terpenes represent a structurally diverse class of natural compounds with increasing scientific interest due to their potential anti-inflammatory properties. This study investigates the in silico binding behavior of six plant-derived terpenes—&...

  • Article
  • Open Access
1 Citations
1,565 Views
20 Pages

Short Lysine-Containing Tripeptide as Analgesic Substance: The Possible Mechanism of Ligand–Receptor Binding to the Slow Sodium Channel

  • Vera B. Plakhova,
  • Arina D. Kalinina,
  • Nadezhda A. Boichenko,
  • Dmitriy M. Samosvat,
  • Georgy G. Zegrya,
  • Irina P. Butkevich,
  • Viktor A. Mikhailenko,
  • Valentina A. Penniyaynen,
  • Svetlana A. Podzorova and
  • Ilya V. Rogachevskii
  • + 2 authors

21 October 2024

A possible molecular mechanism of the ligand–receptor binding of Ac-Lys-Lys-Lys-NH2 (Ac-KKK-NH2) to the NaV1.8 channel that is responsible for nociceptive signal coding in the peripheral nervous system is investigated by a number of experimenta...

  • Article
  • Open Access
1,009 Views
34 Pages

In Silico and In Vitro Evaluation of δ-cadinene from Decatropis bicolor as a Selective Inhibitor of Human Cell Adhesion and Invasion Proteins

  • Iannel Reyes-Vidal,
  • Ivan Tepale-Ledo,
  • Gildardo Rivera,
  • Emma Ortiz-Islas,
  • Salvador Pérez-Mora,
  • David Guillermo Pérez-Ishiwara,
  • Yazmin Montserrat Flores-Martinez,
  • Maricarmen Lara-Rodríguez and
  • María del Consuelo Gómez-García

29 August 2025

Background: Breast cancer is a complex, multifactorial malignancy characterized by the uncontrolled proliferation of epithelial cells, with certain subtypes exhibiting resistance to conventional therapies. Plant-derived essential oils have been propo...

  • Article
  • Open Access
5 Citations
4,473 Views
17 Pages

Exploration of Somatostatin Binding Mechanism to Somatostatin Receptor Subtype 4

  • Rita Börzsei,
  • Balázs Zoltán Zsidó,
  • Mónika Bálint,
  • Zsuzsanna Helyes,
  • Erika Pintér and
  • Csaba Hetényi

Somatostatin (also named as growth hormone-inhibiting hormone or somatotropin release-inhibiting factor) is a regulatory peptide important for the proper functioning of the endocrine system, local inflammatory reactions, mood and motor coordination,...

  • Article
  • Open Access
11 Citations
3,921 Views
25 Pages

Radioprotective Role of Vitamins C and E against the Gamma Ray-Induced Damage to the Chemical Structure of Bovine Serum Albumin

  • Hajar Zarei,
  • Mostean Bahreinipour,
  • Yahya Sefidbakht,
  • Shokouh Rezaei,
  • Rouhollah Gheisari,
  • Susan Kabudanian Ardestani,
  • Vuk Uskoković and
  • Hiroshi Watabe

24 November 2021

Radioprotective effects of vitamin C and vitamin E as a water-soluble and a lipid-soluble agent, respectively, were investigated at the molecular level during the imposition of gamma radiation-induced structural changes to bovine serum albumin (BSA)...

  • Article
  • Open Access
35 Citations
4,741 Views
19 Pages

Designing of a Recombinant Multi-Epitopes Based Vaccine against Enterococcus mundtii Using Bioinformatics and Immunoinformatics Approaches

  • Metab Alharbi,
  • Abdulrahman Alshammari,
  • Abdullah F. Alasmari,
  • Salman Mansour Alharbi,
  • Muhammad Tahir ul Qamar,
  • Asad Ullah,
  • Sajjad Ahmad,
  • Muhammad Irfan and
  • Atif Ali Khan Khalil

Enterococcus species are an emerging group of bacterial pathogens that have a significant role in hospital-associated infections and are associated with higher mortality and morbidity rates. Among these pathogens, Enterococcus mundtii is one of the c...

  • Article
  • Open Access
48 Citations
5,379 Views
26 Pages

Vaccinomics to Design a Multi-Epitopes Vaccine for Acinetobacter baumannii

  • Miraj ud-din,
  • Aqel Albutti,
  • Asad Ullah,
  • Saba Ismail,
  • Sajjad Ahmad,
  • Anam Naz,
  • Muhammad Khurram,
  • Mahboob ul Haq,
  • Zobia Afsheen and
  • Muhammad Tahir ul Qamar
  • + 3 authors

Antibiotic resistance (AR) is the result of microbes’ natural evolution to withstand the action of antibiotics used against them. AR is rising to a high level across the globe, and novel resistant strains are emerging and spreading very fast. A...

  • Article
  • Open Access
19 Citations
8,089 Views
18 Pages

Effects of Moringa oleifera Leaf Extract on Diabetes-Induced Alterations in Paraoxonase 1 and Catalase in Rats Analyzed through Progress Kinetic and Blind Docking

  • Erick Sierra-Campos,
  • Mónica Valdez-Solana,
  • Claudia Avitia-Domínguez,
  • Mara Campos-Almazán,
  • Ismael Flores-Molina,
  • Guadalupe García-Arenas and
  • Alfredo Téllez-Valencia

8 September 2020

In our study, we aimed to evaluate the effects of Moringa oleifera leaves extract on rat paraoxonase 1 (rPON1) and catalase (rCAT) activities in alloxan-induced diabetic rats. Our study included three groups; group C (control, n = 5); group D (diabet...

  • Article
  • Open Access
11 Citations
5,919 Views
23 Pages

Characterization of Plant-Derived Natural Inhibitors of Dipeptidyl Peptidase-4 as Potential Antidiabetic Agents: A Computational Study

  • Alomgir Hossain,
  • Md Ekhtiar Rahman,
  • Md Omar Faruqe,
  • Ahmed Saif,
  • Suzzada Suhi,
  • Rashed Zaman,
  • Abdurahman Hajinur Hirad,
  • Mohammad Nurul Matin,
  • Muhammad Fazle Rabbee and
  • Kwang-Hyun Baek

Diabetes, characterized by elevated blood sugar levels, poses significant health and economic risks, correlating with complications like cardiovascular disease, kidney failure, and blindness. Dipeptidyl peptidase-4 (DPP-4), also referred to as T-cell...