SARS-CoV-2 Papain-like Protease as a Target for Anti-HCV and Anti-HIV Proteases: In silico Perspective
The papain-like protease (PLpro) is a useful target for discovering SARS-CoV-2 therapeutics. This study targets the newly emerged SARS-CoV-2 PLpro by anti-SARS-CoV PLpro, anti-HCV NS3, and anti-HIV protease drugs. Sequence analysis, modeling, and docking are used to get a valid model for SARS-CoV-2 PLpro and test the drugs' binding affinity. Results suggest the effectiveness of two anti-SARS-CoV drugs, three anti-HCV drugs, and eight antiHIV drugs as possible potent binders against the newly emerged coronavirus, SARS-CoV-2 PLpro active site. The binding affinities arise mainly from the established H-bonding and hydrophobic contacts with K105, W106, H272, and D286. The suggested compounds and drugs may be used as possible therapeutics against COVID-19.