Fig. 7
The binding model of repurposed drugs against SARS-CoV-2 3CLpro. a Binding mode of the Amentaflavone drug (red) in SARS-CoV-2 3CLpro (green) substrate binding pocket. b Artemisinin drug (blue) binding mode in SARS-CoV-2 3CLpro (pink) substrate binding pocket. c Binding mode of the Ritonavir drug (magenta) in SARS-CoV-2 3CLpro (cyan) substrate binding pocket. d Binding mode of the Vitamin D (green) in SARS-CoV-2 3CLpro (red) substrate binding pocket. Protein–ligand interaction (hydrogen bond) are shown with red dotted lines