高等学校化学学报2012，Vol.33Issue(11)：2462-2469,8.DOI:10.7503/cjcu20120075
γ-氨基丁酸与其突变受体的相互作用
Interaction Between GABA and Mutant GABAaR
摘要
Abstract
The interaction between receptor and ligand may explain the mechanism of ligand effect. Homology modeling is one of important technologies in computer-aided drug design. In this paper, a rat y-aminobutyric acid receptor (GABAaR) model and its β97Tyr mutant receptor models were built by homology modeling. The calculation results show that the interactions between γ-aminobutyric acid (GABA) and the GABAaR and its mutants are significantly different in the docking energy and hydrogen bonds. As the numbers of fluorine atom in mutant receptors increase, the binding capacities between the receptors and ligand decrease.关键词
γ-氨基丁酸a型受体/活性位点/氨基酸突变/同源建模/分子对接Key words
γ-Aminobutyric acid receptor ( GABAaR) / Active site/ Mutations of amino acid/ Homology modeling/ Docking分类
化学化工引用本文复制引用
温夏夏,南士滨,任天瑞,姚建华..γ-氨基丁酸与其突变受体的相互作用[J].高等学校化学学报,2012,33(11):2462-2469,8.基金项目
国家自然科学基金(批准号:20872093,21172147,21072216)、上海市教委创新项目(批准号:11ZZ112)、国家科技部"十二五"支撑项目(批准号:2011BAE06B05)和国家基础研究重点项目(批准号:2010CB126106,2010CB126103)资助. （批准号:20872093,21172147,21072216）
