Enhancing the Sensitivity of Pharmacophore-Based Virtual Screening by Incorporating Customized ZBG Features: A Case Study Using Histone Deacetylase 8

As key regulators of epigenetic regulation, human histone deacetylases (HDACs) have been identified as drug targets for the treatment of several cancers. The proper recognition of zinc-binding groups (ZBGs) will help improve the accuracy of virtual screening for novel HDAC inhibitors. Here, we devel...

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Veröffentlicht in:	Journal of chemical information and modeling 2015-04, Vol.55 (4), p.861-871
Hauptverfasser:	Hou, Xuben, Du, Jintong, Liu, Renshuai, Zhou, Yi, Li, Minyong, Xu, Wenfang, Fang, Hao
Format:	Artikel
Sprache:	eng
Schlagworte:	Binding sites Cancer Cell growth Cell Line, Tumor Cell Proliferation - drug effects Drug Evaluation, Preclinical - methods Epigenetics Histone Deacetylase Inhibitors - pharmacology Histone Deacetylases - chemistry Histone Deacetylases - metabolism Humans Protein Conformation Repressor Proteins - antagonists & inhibitors Repressor Proteins - chemistry Repressor Proteins - metabolism User-Computer Interface Zinc - metabolism
Online-Zugang:	Volltext
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