Research Article

Screening for a Potential Therapeutic Agent from the Herbal Formula in the 4th Edition of the Chinese National Guidelines for the Initial-Stage Management of COVID-19 via Molecular Docking

Table 8

Hydrogen bond-forming residues of chain C in SARS-CoV spike glycoprotein and angiotensin-converting enzyme 2 (chain D).

##Structure 1 (chain C)Dist. (Å)Structure 2 (chain D)

1C: ARG 426[NH1]2.69D: GLN 325[OE1]
2C: TYR 436[OH]2.81D: ASP 38[OD1]
3C: TYR 436[OH]2.72D: ASP 38[OD2]
4C: ASN 473[ND2]3.46D: GLN 24 [O]
5C: ASN 473[ND2]2.40D: TYR 83[OH]
6C: TYR 475[OH]3.88D: TYR 83[OH]
7C: THR 486[OG1]3.39D: TYR 41[OH]
8C: THR 487[N]3.89D: TYR 41[OH]
9C: ILE 489[N]3.65D: GLN 325[OE1]
10C: THR 486[O]3.50D: TYR 41[OH]
11C: TYR 484[OH]2.99D: GLN 42[NE2]
12C: TYR 436[OH]2.77D: GLN 42[NE2]
13C: THR 486[O]3.22D: ASN 330[ND2]
14C: GLY 482[O]3.00D: LYS 353[NZ]