【摘 要】
：
Indirubin-3-monoxime(IM)is a potent cyclin-dependent kinase(CDK)inhibitor,Twenty novel IM derivatives were prepared to investigate the structure-activity relationships(SAR)of this compound class.Six c
【机 构】
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Beijing Key Laboratory of Active Substance Discovery and Druggability Evaluation,Institute of Materi
【出 处】
：
第八届国际分子模拟与信息技术应用学术会议
论文部分内容阅读
Indirubin-3-monoxime(IM)is a potent cyclin-dependent kinase(CDK)inhibitor,Twenty novel IM derivatives were prepared to investigate the structure-activity relationships(SAR)of this compound class.Six compounds showed significant inhibition against both CDK2/cyclin E1 an CDK9/cyclin T1.The most potent compound 7t exhibited IC50 values at submicromolar level.Preliminary SAR trends were suggested and cytotoxicity of these compounds was investigated.Molecular docking studies on compounds 7l and 7t provided conducive clues for further structural optimization.
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