Identifying structural–functional analogue of GRL0617, the only well-established inhibitor for papain-like protease (PLpro) of SARS-CoV2 from the pool of fungal metabolites using docking and molecular dynamics simulation

Priyashi Rao, R. B. Patel, Arpit Shukla, Paritosh Parmar, Rakesh Rawal, Meenu Saraf, Dweipayan Goswami