Table 3.
The LibDockScore of core targets and their interacting compounds.
| EGFR | CASP3 | TNF | STAT3 | ERBB2 | |
|---|---|---|---|---|---|
| PDB ID | 4RJ3 | 3DEK | 2I47 | 5E1E | 3PPO |
| Ligand | 36.2757 | 127.085 | 150.675 | 50.1198 | 79.9372 |
| Adenosine | 105.345 | 78.4298 | 126.119 | 87.4359 | 123.208 |
| Caffeic acid | 72.1329 | 56.7253 | 99.0207 | 65.7432 | 89.7552 |
| Ferulic acid | 75.7277 | 57.8825 | 95.146 | 67.7231 | 92.0158 |
| Quercetin-3β-D-glucoside | 135.829 | 117.332 | 164.278 | 127.756 | — |
| Rutin | 152.242 | 127.796 | 180.199 | 144.249 | — |
| Scopoletin | 74.2542 | 60.6044 | 100.557 | 66.1219 | 88.9612 |
| Tianshic acid | 129.282 | 105.871 | 143.458 | 110.537 | 142.933 |