Advances in Bioinformatics / 2014 / Article / Tab 3

Research Article

Utilization of Boron Compounds for the Modification of Suberoyl Anilide Hydroxamic Acid as Inhibitor of Histone Deacetylase Class II Homo sapiens

Table 3

The Δ data result of the best ligands binding toward HDAC class II Homo sapiens.

LigandGibbs free energy (Δ) towards HDAC class II Homo sapiens
HDAC4HDAC5HDAC6HDAC7HDAC9HDAC10

Nova2 (9058064-6)−25,83−28,94−29,43−31,33−25,24−24,01
Nova2 (95752-88-8)−18,25−31,67−28,87−28,14−26,74−25,96
Nova2 (88765-82-6)−23,63−29,22−28,20−25,41−24,20−23,32
Nova2 (Unique10)−23,79−29,14−27,58−26,66−24,39−20,90
Nova2 (16876-27-0)−16,96−27,72−25,88−24,31−24,80−22,84
Nova2 (513246-99-6)−22,69−28,57−27,01−26,72−24,92−21,75
Nova2 (Unique80)−22,14−25,00−26,80−24,51−23,43−20,83
Nova2 (279262-23-6)−22,13−27,46−26,04−27,09−24,25−20,68
SAHA−13,93−17,28−15,35−14,54−16,19−15,37
TSA−14,65−15,21−14,69−13,50−14,28−13,01

Note: numbers in bold show the lowest binding energy.