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 |