Fig. 12.

Binding mode and structure other natural compounds with in vitro demonstrated inhibitory activity in the active site of SARS-CoV-2 Mpro. Catalytic residues are colored (His41: green, Cys145: yellow), residues participating in hydrogen bonds are depicted as yellow dashes. 2: 2,3′,4,5′,6-pentahydroxybenzophenone; 3: 24-methylcholesta-7-en-3β-on. The receptor-ligand complex was produced by docking simulations using the software YARASA Structure, replicating the binding mode represented in the relevant publication (Available in Table −3). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)