3D-QSAR and docking studies on 1-hydroxypyridin-2-one compounds as mutant isocitrate dehydrogenase 1 inhibitors
详细信息 查看全文
- 作者：Zhenya Wang1 ; Yiqun Chang1 ; Yushui Han ; Kangjia Liu ; Jinsong Hou ; Chengli Dai ; Yuanhao Zhai ; Jialiang Guo ; Pinghua Sun ; Jing Lin ; linjing_jnu@163.com" class="auth_mail" title="E-mail the corresponding author ; Weimin Chen ; twmchen@jnu.edu.cn" class="auth_mail" title="E-mail the corresponding author
- 关键词：3D-QSAR ; Molecular docking ; 1-Hydroxypyridin-2-ones ; Mutant isocitrate dehydrogenase 1 inhibitors
- 刊名：Journal of Molecular Structure
- 出版年：2016
- 出版时间：5 November 2016
- 年：2016
- 卷：1123
- 期：Complete
- 页码：335-343
- 全文大小：2058 K
文摘
- •
QSAR models for a series of 40 1-hydroxypyridin-2-one compounds as MIDH1 inhibitors were developed.
- •
Possible interaction modes between MIDH1 and 1-hydroxypyridin-2-one compounds was analyzed.
- •
A set of novel derivatives with better predicted activities were designed.