Application of Ligand- and Structure-Based Prediction Models for the Design of Alkylhydrazide-Based HDAC3 Inhibitors as Novel Anti-Cancer Compounds

Histone deacetylases (HDAC) represent promising epigenetic targets for several diseases including different cancer types. The HDAC inhibitors approved to date are pan-HDAC inhibitors and most show a poor selectivity profile, side effects, and in particular hydroxamic-acid-based inhibitors lack good...

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Bibliographic Details

Published in:	Pharmaceuticals
Main Authors:	Emre F. Bülbül, Dina Robaa, Ping Sun, Fereshteh Mahmoudi, Jelena Melesina, Matthes Zessin, Mike Schutkowski, Wolfgang Sippl
Format:	Article
Language:	English
Published:	MDPI AG 2023-07-01
Subjects:	docking binding free energy pharmacophore atom-based QSAR alkylhydrazide histone deacetylases (HDAC)
Online Access:	https://www.mdpi.com/1424-8247/16/7/968