TABLE 3.
The binding energy values of core compounds of TW and core targets.
| Target | Compounds | Binding energy/(kcal/mol) |
|---|---|---|
| AKT1(3cqw) | Kaempferol | –8.1 |
| AKT1(3cqw) | Triptolide | –8.1 |
| AKT1(3cqw) | Nobiletin | –7.7 |
| AKT1(3cqw) | Beta-sitosterol | –8.2 |
| AKT1(3cqw) | Tripterine | –8.7 |
| AKT1(3cqw) | Stigmasterol | –9.3 |
| AKT1(3cqw) | Triptoditerpenic acid B | –8.1 |
| AKT1(3cqw) | Triptinin B | –8.7 |
| TP53(3dcy) | Kaempferol | –8 |
| TP53(3dcy) | Triptolide | –8.3 |
| TP53(3dcy) | Nobiletin | –8.9 |
| TP53(3dcy) | Beta-sitosterol | –9.5 |
| TP53(3dcy) | Tripterine | –8.6 |
| TP53(3dcy) | Stigmasterol | –9.3 |
| TP53(3dcy) | Triptoditerpenic acid B | –7.6 |
| TP53(3dcy) | Triptinin B | –8.3 |
| VEGFA(5dn2) | Kaempferol | –7.8 |
| VEGFA(5dn2) | Triptolide | –9 |
| VEGFA(5dn2) | Nobiletin | –7.3 |
| VEGFA(5dn2) | Beta-sitosterol | –7.5 |
| VEGFA(5dn2) | Tripterine | –7.7 |
| VEGFA(5dn2) | Stigmasterol | –7.7 |
| VEGFA(5dn2) | Triptoditerpenic acid B | –7.6 |
| VEGFA(5dn2) | Triptinin B | –8.5 |