3D-database searching based on the crystal structure of ketol-acid reductoisomerase (KARI) complex

被引：0
作者：
Wang, BL [1 ]
Li, ZM
Ma, Y
Wang, JC
Luo, XM
Zuo, ZL
机构：
[1] Nankai Univ, Natl Lab Elemento Organ Chem, Inst Elemento Organ Chem, Tianjin 300071, Peoples R China
[2] Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 200031, Peoples R China
来源：
CHINESE JOURNAL OF ORGANIC CHEMISTRY | 2004年 / 24卷 / 08期
关键词：
KARI; DOCK; 3D-database;
D O I：
暂无
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Based on the reported crystal structure of complexes of the enzyme ketol-acid reductoisomerase (KARI), 279 molecules were obtained with predicted high affinity for KARI from MDL/ACD 3D-database searching, using program DOCK 4.0. The interaction pattern between some top-ranked molecules and KARI was described. These structures provide information for further design of new potential herbicidal molecules targeted at KARI.
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收藏
页码：973 / 976
页数：4
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