Table 3.
Docking information of active ingredients and targets of Eight Zhes Decoction (EZD).
| Term | Binding energy (kcal/mol) | Mode of action | Target point |
|---|---|---|---|
| PLA2G2A-Naringenin | −7.60 | H bond | LYS-62 |
| CYP3A4-Naringenin | −8.15 | H bond | LYS-476, VAL-490 |
| CYP2C9-Naringenin | −6.29 | H bond | ARG-342, ASN-418 |
| ALOX12-Naringenin | −6.48 | H bond | ILE-318, THR-329 |
| PLA2G2A-Artemetin | −6.50 | H bond | LYS-62, LYS-115 THR-61 |
| CYP2C8-Artemetin | −6.09 | H bond | GLN-214 |
| ALOX12-Artemetin | −5.25 | H bond | CYS-559 |
| CYP3A4-Canadine | −8.63 | H bond | THR-224 |
| CYP1A2-Canadine | −5.97 | H bond | LYS-167 |
| CYP3A4-Bicuculline | −7.46 | H bond | LEU-477 |
| CYP2C9-Bicuculline | −6.91 | H bond | ASN-107, ASN-217 |