Design and synthesis of benzodiazepine analogs as isoform-selective human lysine deacetylase inhibitors

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• 作者：D. Rajasekhar Reddy ; Flavio Ballante ; Nancy J. Zhou ; Garland R. Marshall ; ^{garlandm@gmail.com}
• 关键词：Epigenetics ; Histone deacetylase (HDAC) ; Lysine deacetylase (KDAC) ; Benzodiazepine (BZD) ; Structure-based drug design (SBDD)
• 刊名：European Journal of Medicinal Chemistry
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：127
• 期：Complete
• 页码：531-553
• 全文大小：7475 K
• 卷排序：127

文摘

108 benzodiazepine (BZD) derivatives have been designed and synthesized. 104 BZDs were biochemically tested against hKDAC1, 3, 6 and 8 and found active. Compound 6q shows an interesting selectivity against hKDAC3. Molecular docking studies have been extensively performed. Structure-activity relationships have been rationalized in a pharmacophore scheme.