Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Therapeutic effects of phlorotannins in the treatment of neurodegenerative disorders

YJ Kwon, OI Kwon, HJ Hwang, HC Shin… - Frontiers in Molecular …, 2023 - frontiersin.org
Phlorotannins are natural polyphenolic compounds produced by brown marine algae and
are currently found in nutritional supplements. Although they are known to cross the blood …

Computational screening of natural compounds as putative quorum sensing inhibitors targeting drug resistance bacteria: Molecular docking and molecular dynamics …

K Chaieb, B Kouidhi, SB Hosawi… - Computers in Biology …, 2022 - Elsevier
Quorum sensing (QS) is a bacterial communication strategy controlling cells density, biofilm
formation, virulence, sporulation, and survival. Since QS is considered a virulence factor in …

Development of a simple and miniaturized sandwich-like fluorescence polarization assay for rapid screening of SARS-CoV-2 main protease inhibitors

G Yan, D Li, Y Lin, Z Fu, H Qi, X Liu, J Zhang, S Si… - Cell & bioscience, 2021 - Springer
Background Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is highly
transmissible and has caused a pandemic named coronavirus disease 2019 (COVID-19) …

[HTML][HTML] Stand up to stand out: natural dietary polyphenols curcumin, resveratrol, and gossypol as potential therapeutic candidates against severe acute respiratory …

Z Wang, X Song, W Xu, S Lei, H Zhang, L Yang - Nutrients, 2023 - mdpi.com
The COVID-19 pandemic has stimulated collaborative drug discovery efforts in academia
and the industry with the aim of develo** therapies and vaccines that target SARS-CoV-2 …

Marine-Derived Bioactive Metabolites as a Potential Therapeutic Intervention in Managing Viral Diseases: Insights from the SARS-CoV-2 In Silico and Pre-Clinical …

QN Okechukwu, FO Adepoju, ON Kanwugu, P Adadi… - Pharmaceuticals, 2024 - mdpi.com
Worldwide urbanization and subsequent migration have accelerated the emergence and
spread of diverse novel human diseases. Among them, diseases caused by viruses could …

Molecular docking, molecular dynamics simulation and MM-GBSA studies of the activity of glycyrrhizin relevant substructures on SARS-CoV-2 RNA-dependent-RNA …

MA Zamzami - Journal of Biomolecular Structure and Dynamics, 2023 - Taylor & Francis
SARS-CoV-2 is the causative agent of Coronavirus Disease (COVID-19), which is a life-
threatening disease. The World Health Organization has classified COVID-19 as a severe …

Role of marine natural products in the development of antiviral agents against SARS-CoV-2: Potential and prospects

DP Nagahawatta, NM Liyanage… - Marine Life Science & …, 2024 - Springer
A novel coronavirus, known as severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2), has surfaced and caused global concern owing to its ferocity. SARS-CoV-2 is the …

Influence of rosiridin on streptozotocin-induced diabetes in rodents through endogenous antioxidants-inflammatory cytokines pathway and molecular docking study

I Kazmi, FA Al-Abbasi, SA AlGhamdi… - Journal of …, 2025 - Taylor & Francis
The research was undertaken to assess the antidiabetic activity of rosiridin in the
streptozotocin (STZ)-induced diabetic model. Type 2 diabetes mellitus was elicited …

[HTML][HTML] Effects of a shift of the signal peptide cleavage site in signal peptide variant on the synthesis and secretion of SARS-CoV-2 spike protein

Z Zhang, X Wan, X Li, C Wan - Molecules, 2022 - mdpi.com
The COVID-19 pandemic is caused by SARS-CoV-2; the spike protein is a key structural
protein that mediates infection of the host by SARS-CoV-2. In this study, we aimed to …