Table 4.
Gibbs free energy results from molecular docking calculation.
| Target genes | PDB ID | Active ingredients ADMET: (Moderate) | Drug | Affinity (kcal/mol) |
|---|---|---|---|---|
| CYP1A1 | 4i8v | kaempferol | Baishao | −7.0 |
| CYP3A4 | 4d6z | kaempferol | Baishao | −8.7 |
| PPARG | 3u9q | kaempferol | Baishao | −7.7 |
| PPARG | 3u9q | luteolin | Dangshen | −7.9 |
| PTGS2 | 5f19 | luteolin | Dangshen | −9.8 |
| PTGS2 | 5f19 | (+)_catechin | Baishao | −9.2 |
| PTGS2 | 5f19 | Deoxyandrographolide | Fuzi | −8.2 |
| PTGS2 | 5f19 | kaempferol | Baishao | −9.2 |
| PTGS2 | 5f19 | Perlolyrine | Dangshen | −9.2 |
| VEGFA | 1mkk | luteolin | Dangshen | −7.8 |