Table 2.
C-docker energy and C-docker intercations of BA derivatives with HDAC.
| BA Derivatives | PubChem ID | C-Docker Energy (Kcal.mol−1) | C-Docker Interaction (Kcal.mol−1) |
|---|---|---|---|
| Trichostatin A | 444732 | −8.29629 | −42.2661 |
| BA | 243 | −21.0413 | −24.3839 |
| HBA | 135 | −25.8695 | −28.5108 |
| DHBA | 72 | −30.0668 | −30.0539 |
| MHMMBA | 8468 | −25.7985 | −33.4743 |
| DMBA | 7121 | −12.5393 | −26.5611 |
| MHDMBA | 10742 | −4.08312 | −19.4400 |
| TMBA | 8357 | −4.70687 | −24.3551 |
Table 2 describes the docking energy and c-docker interactions of BA derivatives with HDAC enzyme.