Abstract:Papain-like protease (PLpro) is one of the most promising targets for anti-SARS-CoV drugs. In this study, a bioactive library of FDA-approved drugs has virtually been screened using a new successful computational pipeline in the framework of the ensemble docking to identify potential binding molecules of PLpro. Based on our protocol, 20 FDA-approved drugs were found to bind the target enzyme with significant affinities and good geometries, suggesting their potential to be utilized against the virus. Our comput… Show more
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