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.