Research Article
Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling
Figure 2
(a) Representation of the 3CLpro protease with N3 inhibitor. Overall structure of the dimer (left) and cleavage site S1. (b) The best conformation of the potent 3CLpro inhibitor N3 into 3CLpro (c) 2D ligand-protease interaction plot between the inhibitor N3 with 3CLpro. Dashed lines indicate interactions of N3 with 3CLpro.