ArticleComputers in biology and medicine2021
Entry-inhibitory role of catechins against SARS-CoV-2 and its UK variant.
Article in Computers in biology and medicine, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed, 29 citations in OpenAlex.
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- Metabolic Profiling, Antiviral Activity and the Microbiome of Some Mauritian Soft Corals.Marine drugs · 2023Article
- A Comprehensive Update of Various Attempts by Medicinal Chemists to Combat COVID-19 through Natural Products.Molecules (Basel, Switzerland) · 2023Review
- Green Tea Consumption and the COVID-19 Omicron Pandemic Era: Pharmacology and Epidemiology.Life (Basel, Switzerland) · 2023Article
- Is a Genetic Diathesis for Poor Nutrition Becoming More Crucial Due to the Uniformity of COVID Social Stress?Nutrients · 2023Article
- Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus.Biophysical chemistry · 2022Article
- Methodology-Centered Review of Molecular Modeling, Simulation, and Prediction of SARS-CoV-2.Chemical reviews · 2022Review
- Could SARS-CoV-2 Spike Protein Be Responsible for Long-COVID Syndrome?Molecular neurobiology · 2022Review
- Exploring the Targets of Novel Corona Virus and Docking-based Screening of Potential Natural Inhibitors to Combat COVID-19.Current topics in medicinal chemistry · 2022Article
- Catechins: Therapeutic Perspectives in COVID-19-Associated Acute Kidney Injury.Molecules (Basel, Switzerland) · 2021Review
- Effectiveness of Natural Antioxidants against SARS-CoV-2? Insights from theAntibiotics (Basel, Switzerland) · 2021Article
- Polyphenols as alternative treatments of COVID-19.Computational and structural biotechnology journal · 2021Article
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Authors and funding
4 authors at 2 institutions in 2 countries.
Funding
Abstract
backgroundThe global pandemic caused by a RNA virus capable of infecting humans and animals, has resulted in millions of deaths worldwide. Severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) infects the lungs, and the gastrointestinal tract to some extent. Rapid structural mutations have increased the virulence and infectivity of the virus drastically. One such mutated strain known as the UK variant has caused many deaths in the United Kingdom. HYPOTHESIS: Among several indigenous natural ingredients used for prevention and cure of many diseases, the catechins have been reported for their antiviral activity, even against SARS-CoV-2. Characteristic mutations present on the spike protein have presented the newer strain its enhanced infectivity. The spike protein helps the virus bind to ACE2 receptor of the host cell and hence is a drug target. Catechins have been reported for their entry-inhibitory activity against several viruses.
methodIn this study, we performed molecular docking of different catechins with the wild and mutant variants of the spike protein of SARS-CoV-2. The stability of the best docked complexes was validated using molecular dynamics simulation.
resultsThe in-silico studies show that the catechins form favourable interactions with the spike protein and can potentially impair its function. Epigallocatechin gallate (EGCG) showed the best binding among the catechins against both the strains. Both the protein-ligand complexes were stable throughout the simulation time frame.
conclusionThe outcomes should encourage further exploration of the antiviral activity of EGCG against SARS-CoV-2 and its variants.
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