Discovery of KDM5A inhibitors: Homology modeling, virtual screening and structure–activity relationship analysis

[Display omitted] Herein we report the discovery of a series of new KDM5A inhibitors. A three-dimensional (3D) structure model of KDM5A jumonji domain was firstly established based on homology modeling. Molecular docking-based virtual screening was then performed against commercial chemical database...

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Veröffentlicht in:	Bioorganic & medicinal chemistry letters 2016-05, Vol.26 (9), p.2284-2288
Hauptverfasser:	Wu, Xiaoai, Fang, Zhen, Yang, Bo, Zhong, Lei, Yang, Qiuyuan, Zhang, Chunhui, Huang, Shenzhen, Xiang, Rong, Suzuki, Takayoshi, Li, Lin-Li, Yang, Sheng-Yong
Format:	Artikel
Sprache:	eng
Schlagworte:	Drug Discovery Epigenetics Histone lysine demethylation Humans KDM5A Retinoblastoma-Binding Protein 2 - antagonists & inhibitors Small molecule inhibitor Structure-Activity Relationship
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