Fig. 2.

Docking between selected natural compounds and their reported targets. A. PLpro and natural compound M2; B. 3CL and M1; C. Spike and M6. Docking is performed with AutoDock 4 which is detailed in Materials and Methods. The protein structure files are listed in Table 1. Protein domains are shown in different colors, while natural compounds are shown in dark yellow. The amino acids labeled were those interacting with compound. 3CLpro: 3C-like protease; PLpro: papain-like protease.