AI-guided Designing of SARS-CoV-2 Main Protease (M pro ) Inhibitors: An Approach for Novel Antiviral Compound Discovery
Main protease (Mpro) enzyme of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) cleaves polyprotein pp1a and pp1ab at 11 sites, producing essential proteins of viral machinery, and possesses a conserved Cys145-His41 catalytic dyad. While different mutated strains of this virus are being identified, the...