| γ-氨基丁酸与其突变受体的相互作用 |
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| 引用本文： | 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. |
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| 作者姓名： | 温夏夏 南士滨 任天瑞 姚建华 |
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| 作者单位： | 1. 教育部资源化学重点实验室, 上海师范大学生命与环境科学学院, 上海 200234;
2. 中国科学院上海有机化学研究所, 上海 200032 |
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| 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);国家基础研究重点项目(批准号:2010CB126106,2010CB126103)资助 |
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| 摘 要： | 采用同源建模技术构建了大鼠γ-氨基丁酸a型受体(GABAaR)模型及β97Tyr突变受体模型. 采用分子对接技术研究了γ-氨基丁酸(GABA)与突变前后受体的相互作用. 计算结果显示, 突变及未突变受体之间在氢键作用和对接能量方面存在显著差异, 配体与突变受体的结合能力随突变残基中氟原子数目的增加而降低.
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| 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 |
| 收稿时间： | 2012-01-16 |
Interaction Between GABA and Mutant GABAaR |
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| WEN Xia-Xia,NAN Shi-Bin,REN Tian-Rui,YAO Jian-Hua.Interaction Between GABA and Mutant GABAaR[J].Chemical Research In Chinese Universities,2012,33(11):2462-2469. |
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| Authors: | WEN Xia-Xia NAN Shi-Bin REN Tian-Rui YAO Jian-Hua |
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| Institution: | 1. Key Laboratory of Resource Chemistry, Ministry of Education, College of Life and Environment Science, Shanghai Normal University, Shanghai 200234, China;
2. Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032, China |
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| 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 γ-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. |
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| Keywords: | γ-Aminobutyric acid receptor(GABAaR)" target="_blank">γ-Aminobutyric acid receptor(GABAaR)')" href="#">γ-Aminobutyric acid receptor(GABAaR) Active site Mutations of amino acid Homology modeling Docking |
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