Fig. 3.

The best compound identified against 3CLpro was Rydapt (− 9.9 kcal/mol) based on binding affinity. a. The picture represents the results for the analysis of interactions between Rydapt and the viral 3CLpro. The H bonds, conventional and Pi-donor H-bonds, and hydrophobic interactions are depicted using various colors described in the picture guide of interaction colors below the shape. b. The 3D picture shows the docking interactions between Rydapt and 3CLpro residues. c. Position of Rydapt in the pocket of 3CLpro active site. d. A three-dimensional indication of interactions between Rydapt and the 3CLpro active site amino acids. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)