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

Bulletin of the Korean chemical society

Jun Tae Kim¹  Jae Eun Cho¹  Young Kwan Ko¹  Eunae Kim¹  Nam Sook Kang¹ 

关键词: HPPD;    Herbicide;    Pharmacophore;    Molecular docking;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 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 HPPD 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.

【 授权许可】

Unknown