Design, synthesis, docking studies and biological evaluation of novel dihydro-1,3,5-triazines as human DHFR inhibitors

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• 作者：Xiaotian Zhou^a ; Kuaile Lin^a ; Xiang Ma^b ; Wai-Keung Chui^c ; Weicheng Zhou^a ; ^{zhouweicheng58@163.com}
• 关键词：1 ; 3 ; 5-Triazine ; Triazaspirodiene ; hDHFR inhibitors ; Docking study ; Antitumor activities
• 刊名：European Journal of Medicinal Chemistry
• 出版年：2017
• 出版时间：5 January 2017
• 年：2017
• 卷：125
• 期：Complete
• 页码：1279-1288
• 全文大小：1639 K
• 卷排序：125

文摘

Docking studies showed the binding mode of triazaspirodiene derivatives to inhibit hDHFR. Compound A2, A5, B1, and B3 had potent inhibitory activities against hDHFR, which was superior to MTX and the leading compound. 24 Compounds showed anti-tumor activities toward several tumor cell lines with IC50 values ranging from 0.79 to 0.001 μM, which was superior to MTX.