The Structure-Based Three-Dimensional Pharmacophore Models for Arabidopsis thaliana HPPD inhibitors as Herbicide

被引：14

作者：

Cho, Jae Eun ^{[1
]}

Kim, Jun Tae ^{[1
]}

Kim, Eunae ^{[2
]}

Ko, Young Kwan ^{[2
]}

Kang, Nam Sook ^{[1
]}

机构：

[1] Chungnam Natl Univ, Grad Sch New Drug Discovery & Dev, Taejon 305764, South Korea

[2] Korea Res Inst Chem Technol, Div Convergence Chem, Taejon 305600, South Korea

来源：

BULLETIN OF THE KOREAN CHEMICAL SOCIETY | 2013年 / 34卷 / 10期

关键词：

HPPD; Herbicide; Pharmacophore; Molecular docking; P-HYDROXYPHENYLPYRUVATE DIOXYGENASE; MOLECULAR-FIELD ANALYSIS; 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE; CRYSTAL-STRUCTURES; PLANT;

D O I：

10.5012/bkcs.2013.34.10.2909

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

p-Hydroxyphenylpyruvate dioxygenase (HPPD) is a potent herbicide target that is in current use. In this study, we developed a predictive pharmacophore model that uses known HPPD inhibitors based on a theoretically constructed IIPPD homology model. The pharmacophore model derived from the three-dimensional (3D) structure of a target protein provides helpful information for analyzing protein-ligand interactions, leading to further improvement of the ligand binding affinity.

引用

页码：2909 / 2914

页数：6

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