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 4
Schematic view of the entrance pathway for speciophylline into monomer B of the 3CLpro protease of SARS-CoV-2. The ligand is shown in yellow and the protein in orange (monomer A) and blue (monomer B). Snapshots of the lowest energy pathway are presented with the ligand represented in thin sticks and the final pose in ball and stick.