In Silico Profiling of Histone Deacetylase 8 Inhibitory Activity: A Computational Analysis of Novel Dipeptide-Based Compounds Cross-Linked with Hydroxamic Acid
Omer mohammed Ammash,
Shakir M. Alwan,
Ali R.M. albakaa
et al.
Abstract:This study involved the development of innovative compounds consisting of dipeptide cross-links combined with hydroxamic acid. Our objective was to assess their binding affinities with histone deacetylase 8 (HDAC8) by conducting a docking study, comparing the results with the reference ligand, suberoylanilide hydroxamic acid (SAHA).
Docking scores were measured in terms of ΔG (Kcal/mol), and the recorded scores for compounds 2A-D were found to be higher than that of SAHA, with values of 87.36, 80.46, 79.42, an… Show more
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