Table 1 Docking score of active ingredients with potential targets of Yinchenhao Decoction
Protein | PDB ID | 2D Image | Test Compounds | Docking Score (pKD/pKi) |
|---|---|---|---|---|
BCL2 | 2W3l |
| beta-sitosterol | 6.818 |
| quercetin | 5.928 | ||
| kaempferol | 5.888 | ||
CASP8 | 1QTN |
| beta-sitosterol | 5.013 |
| quercetin | 6.375 | ||
IL6 | 1ALU |
| quercetin | 6.688 |
EGF | 1NQL |
| quercetin | 6.185 |
IL10 | 2ILK |
| quercetin | 6.642 |
CASP3 | 6BFJ |
| aloe-emodin | 4.871 |
| beta-sitosterol | 7.274 | ||
| quercetin | 4.875 | ||
| kaempferol | 4.856 | ||
PK3CG | 3CSF |
| rhein | 6.621 |
| aloe-emodin | 6.967 | ||
| Ammidin | 4.49 | ||
| quercetin | 6.44 | ||
| Toralactone | 6.866 | ||
| beta-sitosterol | 7.696 | ||
| 3-Methylkempferol | 4.354 | ||
| kaempferol | 6.694 | ||
| capillarisin | 4.448 | ||
| isorhamnetin | 4.491 | ||
| Demethoxycapillarisin | 6.328 | ||
MMP1 | 1SU3 |
| quercetin | 6.323 |
| kaempferol | 6.505 | ||
CXL10 | 1O7Y |
| quercetin | 4.741 |
RAF1 | 3KUC |
| quercetin | 6.464 |
