Prediction of Small Molecule Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus‑2 RNA-dependent RNA Polymerase

Abstract excerpt

The current COVID-19 outbreak warrants the design and development of novel anti-COVID therapeutics. Using a combination of bioinformatics and computational tools, we modelled the 3D structure of the RdRp (RNA-dependent RNA polymerase) of SARS-CoV2 (severe acute respiratory syndrome coronavirus-2) and predicted its probable GTP binding pocket in the active site. GTP is crucial for the formation of the initiation...

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