QSAR AND DOCKING STUDIES OF CHLORPROPAMIDE DERIVATES

被引：0
|
作者：
Harsa, Teodora E. [1 ]
Harsa, Alexandra M. [1 ]
Diudea, Mircea V. [1 ]
机构：
[1] Univ Babes Bolyai, Fac Chem & Chem Engn, Cluj Napoca 400028, Romania
来源：
PHARMACOPHORE | 2015年 / 6卷 / 05期
关键词：
Chlorpropamide; QSAR; log P; Similarity; Hypermolecule; Leave-one-out; AUTODOCK Vina; Docking; Receptor;
D O I：
暂无
中图分类号：
R9 [药学];
学科分类号：
1007 ;
摘要：
A study of 40 chlorpropamide derivatives, QSAR (Quantitative Structure Activity Relationship) and molecular docking approaches were applied to explore the structural requisites of chlorpropamide derivatives for CYTOCHROME P450 2C9 inhibitory activity. A set of forty chlorpropamide, was modeled, within the hypermolecule strategy; the predicted activity was LD50 and prediction was done on similarity clusters with the leaders chosen as the best docked ligands on the CYTOCHROME P450 2C9.
引用
收藏
页码：208 / 219
页数：12
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