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Computational Study of SARS-CoV-2 RNA Dependent RNA Polymerase Allosteric Site Inhibition

30 Dec 2021

Abstract excerpt

The COVID-19 pandemic has caused millions of fatalities since 2019. Despite the availability of vaccines for this disease, new strains are causing rapid ailment and are a continuous threat to vaccine efficacy. Here, molecular docking and simulations identify strong inhibitors of the allosteric site of the SARS-CoV-2 virus RNA dependent RNA polymerase (RdRp). More than one hundred different flavonoids were docked...

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PMID: 35011458
DOI: 10.3390/molecules27010223

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