25 January 2022: Database Analysis
Virtual Screening and Molecular Docking to Study the Mechanism of Chinese Medicines in the Treatment of Coronavirus Infection
Fan Ping 1ADE* , Yanxia Wang 1C* , Xia Shen 1AG* , Conge Tan 2G* , Lin Zhu 1BF , Wenwen Xing 2D , Jun Xu 3ADDOI: 10.12659/MSM.934102
Med Sci Monit 2022; 28:e934102
Figure 7 Schematic diagram of molecular docking. (SYBYL-X 2.0). (A) With the small molecule ligand of wogonin as the center, the amino acid residues of ACE2 within the range of 5A form an added structure to the surface of the interface pocket; (B) With the small molecule ligand of isolariciresinol as the center, the amino acid residues of ACE2 within the range of 5A form an added structure to the surface of the interface pocket; (C) With the small molecule ligand of quercetin as the center, the amino acid residues of NOS3 within the range of 5A form an added structure to the surface of the interface pocket.