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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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Principais autores: Emre F. Bülbül, Dina Robaa, Ping Sun, Fereshteh Mahmoudi, Jelena Melesina, Matthes Zessin, Mike Schutkowski, Wolfgang Sippl
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2023-07-01
Serier:Pharmaceuticals
Fag:
docking
binding free energy
pharmacophore
atom-based QSAR
alkylhydrazide
histone deacetylases (HDAC)
Online adgang:https://www.mdpi.com/1424-8247/16/7/968
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