Table 2.
Molecular docking binding energy.
| Source | MOI ID | Active Ingredients | Binding Affinity(kcal/mol) | ||||
|---|---|---|---|---|---|---|---|
| PTGS2 | MMP9 | PPARG | MMP2 | CXCR4 | |||
| (5F19) | (4WZV) | (6C5Q) | (8H78) | (3ODU) | |||
| Banxia | MOL002670 | Cavidine | −9.5 | −10.3 | −9.0 | −8.0 | −8.9 |
| Banxia | MOL006957 | (3S,6S)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone | −9.0 | −10.4 | −8.4 | −8.9 | −8.1 |
| Banxia | MOL002714 | baicalein | −9.3 | −10.3 | −7.6 | −8.1 | −8.3 |
| Shengjiang | MOL006129 | 6-methylgingediacetate2 | −7.4 | −8.2 | −6.7 | −7.1 | −6.2 |
| Shengjiang | MOL008698 | Dihydrocapsaicin | −7.4 | −8.5 | −6.4 | −5.8 | −6.4 |
CXCR4 = C-X-C motif chemokine receptor 4, MMP2 = matrix metalloproteinase-2, MMP9 = matrix metalloproteinase-9, PPARG = peroxisome, PTGS2 = prostaglandin-endoperoxide synthase 2 proliferator activated receptor gamma.