Compound Name

PubChem CID

Docking Score

(Kcal/mol)

Residues Involved in Hydrogen Bonds, Distance (Å)

Interacting Residues of Target

Gingerol

442793

−3.767

Tyr99, 2.09

Gly219, Gly216, Trp215, Tyr99, Ser214, Ala190, Asp198, Cys191, Glu192

Beta-Sitosterol

222284

−3.714

Leu41, 2.19

Arg174, Tyr99, His57, Trp215, Leu41

Isovanillin

12127

−6.848

Gly219, 2.03

Ser195, Ala190, Asp189, Cys191, Gln192, Gly216, Gly219, Leu217, Trp215, Cys220, Gly226

2,6-Dimethyl-2-octene-1,8-diol

13498523

0.295

Asp97, 2.38;

Ser214, 2.17

Ser214, Thr98, Asp97, Thr175