Structure-based design and synthesis of small molecular inhibitors disturbing the interaction of MLL1-WDR5
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- 作者：Dong-Dong Lia ; b ; Wei-Lin Chena ; b ; Xiao-Li Xua ; b ; c ; Fen Jianga ; b ; Lei Wanga ; b ; Yi-Yue Xiea ; b ; Xiao-Jin Zhanga ; b ; d ; Xiao-Ke Guoa ; b ; c ; Qi-Dong Youa ; b ; youqidong@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Hao-Peng Suna ; b ; c ; sunhaopeng@163.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Histone methyltransfreases ; MLL1-WDR5 interaction ; Small molecular inhibitors ; Leukemia
- 刊名：European Journal of Medicinal Chemistry
- 出版年：2016
- 出版时间：8 August 2016
- 年：2016
- 卷：118
- 期：Complete
- 页码：1-8
- 全文大小：1711 K
文摘
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A series of MLL1-WDR5 PPI small molecular inhibitors were designed and synthesized based on a co-crystal structure.
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SAR of this series of compounds was discussed along with docking study.
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Compound 23 was the most potent compound disturbing the interaction of MLL1-WDR5 with IC50 value 104 nM in FP assay.