Table 2.
Binding energy and number of predicted interactions of top-scoring poses of docked compounds with HDAC2 (PDB: 4LY1).
| Compounds | Binding energy (Kcal/mol) | Number of residues* |
|---|---|---|
| Panobinostat | -9.4 | 4 |
| A | -10.2 | 8 |
| B | -9.5 | 9 |
| C | -9.8 | 9 |
| D | -10.0 | 8 |
| E | -9.7 | 7 |
| F | -8.9 | 10 |
| G | -9.4 | 7 |
HDAC, Histone deacetylase inhibitors; * displays the number of HAC2 active site residues interacting with compounds.