Molecular docking-based virtual screening and computational investigations of biomolecules (curcumin analogs) as potential lead inhibitors for SARS-CoV-2 papain-like protease


	Visual representations of the outcomes of molecular dynamics simulations regarding hydrogen bonds formed between THA111 (depicted in blue) and THHGV6 (shown in purple) with SARS-CoV-2 PLpro macromolecules.

Part of: Fakih TM, Ritmaleni, Zainul R, Muchtaridi M (2024) Molecular docking-based virtual screening and computational investigations of biomolecules (curcumin analogs) as potential lead inhibitors for SARS-CoV-2 papain-like protease. Pharmacia 71: 1-19. https://doi.org/10.3897/pharmacia.71.e123948