Table 5 Molecular docking results of available proteins and drugs
Target | PDB ID | Drug | PubChem ID | Binding energy (kcal/mol) |
|---|---|---|---|---|
TGFB1 | 5VQP | butyric acid | 264 | -4.17 |
TGFB1 | 5VQP | clofibrate | 2796 | -5.9 |
TGFB1 | 5VQP | Sorafenib | 216,239 | -5.32 |
TGFB1 | 5VQP | Andrographolide | 5,318,517 | -4.93 |
TGFB3 | 8V52 | butyric acid | 264 | -4.4 |
EP300 | 8GZC | butyric acid | 264 | -3.3 |
TP53 | 6MY0 | butyric acid | 264 | -4.05 |
CDK4 | 2W96 | clofibrate | 2796 | -5.74 |
CDK4 | 2W96 | Sorafenib | 216,239 | -5.65 |
CDK4 | 2W96 | Andrographolide | 5,318,517 | -7.11 |
HMGCR | 1HW9 | clofibrate | 2796 | -4.35 |
TP53 | 6MY0 | clofibrate | 2796 | -5.05 |
TP53 | 6MY0 | Sorafenib | 216,239 | -7.05 |
TP53 | 6MY0 | Andrographolide | 5,318,517 | -6.05 |