Table 4.
The binding ability between active components and core targets.
| Target | Active compound | Structure identifier | Total score | Crash | Polar | Cs score |
|---|---|---|---|---|---|---|
| CCND1 | Quercetin | 2W96 | 5.1903 | −1.0717 | 4.1885 | 4 |
| CASP3 | Quercetin | 1NMS | 4.9902 | −0.882 | 2.8775 | 4 |
| Kaempferol | 1NMS | 5.2574 | −1.0301 | 3.0597 | 5 | |
| HIF1A | Quercetin | 6GMR | 6.6632 | −1.7108 | 6.7477 | 5 |
| ESR1 | Isorhamnetin | 1L2I | 6.7808 | −2.1481 | 3.3145 | 5 |
| Ent-epicatechin | 1L2I | 5.5575 | −1.8304 | 4.3591 | 5 | |
| ERBB2 | Quercetin | 1MFG | 4.5064 | −0.4128 | 4.4425 | 5 |
| MYC | Quercetin | 1NKP | 6.3422 | −0.8011 | 2.2238 | 4 |
| PTEN | Quercetin | 1D5R | 4.2476 | −1.0926 | 3.5241 | 5 |
| TP53 | Quercetin | 1AIE | 4.3401 | −0.9861 | 2.7229 | 5 |
| AKT1 | Quercetin | 1UNQ | 5.0166 | −0.7164 | 4.8684 | 5 |
| Kaempferol | 1UNQ | 5.0044 | −0.6681 | 4.872 | 3 | |
| EGFR | Quercetin | 1XKK | 5.7674 | −0.3837 | 1.8907 | 4 |