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. 2022 Sep 8;17(5):572–584. doi: 10.4103/1735-5362.355214

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.