25 January 2022 : Database Analysis
Virtual Screening and Molecular Docking to Study the Mechanism of Chinese Medicines in the Treatment of Coronavirus Infection
Fan Ping1ADE, Yanxia Wang1C, Xia Shen1AG*, Conge Tan2G, Lin Zhu1BF, Wenwen Xing2D, Jun Xu3ADDOI: 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.