TABLE 3.
Molecular docking results between ligands and core target receptors.
| Target genes | PDB ID | Active ingredients | Binding energy (kcal/mol) |
|---|---|---|---|
| PTGS2 | 5F19 | Quercetin | -9.6 |
| PTGS2 | 5F19 | Baicalein | -9.3 |
| PTGS2 | 5F19 | Beta-sitosterol | -9.7 |
| PTGS2 | 5F19 | Coptisine | -9.6 |
| PTGS2 | 5F19 | Stigmasterol | -9.0 |
| IL6 | 1IL6 | Quercetin | -7.4 |
| IL6 | 1IL6 | Wogonin | -7.2 |
| IL6 | 1IL6 | Oroxylin A | -7.0 |
| MMP9 | 4H3X | Quercetin | -10.7 |
| MMP9 | 4H3X | Baicalein | -10.1 |
| MMP9 | 4H3X | Rutaecarpine | -8.6 |
| CXCL8 | 4XDX | Quercetin | -6.8 |
| CXCL8 | 4XDX | Wogonin | -6.7 |
| JUN | 1JUN | Quercetin | -5.5 |
| JUN | 1JUN | Beta-sitosterol | -5.5 |
| ICAM1 | 1D3L | Quercetin | -6.2 |
| ICAM1 | 1D3L | Kaempferol | -5.9 |
| IFNG | 1HIG | Quercetin | -7.7 |
| IL1β | 31BI | Quercetin | -7.5 |
| IL10 | 1ILK | Quercetin | -6.7 |
| CCL2 | 1DOM | Quercetin | -6.1 |