| 肝素与HIV-1膜表面蛋白gp120相互作用的预测和模拟 |
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| 引用本文： | 阎作伟,胡远东,李松,江涛.肝素与HIV-1膜表面蛋白gp120相互作用的预测和模拟[J].高等学校化学学报,2004,25(3):522-525. |
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| 作者姓名： | 阎作伟 胡远东 李松 江涛 |
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| 作者单位： | 1. 中国海洋大学海洋药物与食品研究所, 青岛 266003;
2. 军事医学科学院药物毒物研究所, 北京 100850 |
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| 基金项目： | 国家自然科学基金(批准号: 20371043)资助. |
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| 摘 要： | 用分子模拟软件研究肝素与HIV-1膜表面蛋白gp120的相互作用.将肝素中的单糖、二糖和三糖片段作为探针对gp120蛋白进行搜索,统计分析确定肝素结合区域.用肝素六糖片段和结合区域进行反应分子对接,获得两种结合模式.最终建立的模型能够很好地解释肝素体外抑制HIV-1的现象,同时对其机理进行了推测.
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| 关 键 词： | gp120 肝素结合区域 探针 分子对接 |
| 文章编号： | 0251-0790(2004)03-0522-04 |
| 收稿时间： | 2003-03-10 |
| 修稿时间： | 2003年3月10日 |
Prediction and Simulation on Interaction Between HIV-1 Envelope Protein gp 120 and Heparin |
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| YAN Zuo Wei ,HU Yuan Dong ,LI Song ,JIANG Tao.Prediction and Simulation on Interaction Between HIV-1 Envelope Protein gp 120 and Heparin[J].Chemical Research In Chinese Universities,2004,25(3):522-525. |
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| Authors: | YAN Zuo Wei HU Yuan Dong LI Song JIANG Tao |
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| Institution: | 1. Marine Drug and Food Institute, Ocean University of China, Qingdao 266003, China;
2. Beijing Institute of Pharmacology and Toxicology, Beijing 100850, China |
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| Abstract: | Molecular simulation software are used to investigate the interaction between HIV 1 envelope protein gp 120 and heparin. Monosaccharide, disaccharide and trisaccharide of heparin are used as the probe molecules to make a global search around protein gp 120. After statistics analysis, we found the most favorable binding domain on gp 120 to heparin, and got two binding model which could be used to interpret the phenomenon that heparin could inhibit HIV 1 in vitro very well by docking heparin hexasaccharide to the binding domain. |
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| Keywords: | gp 120 Heparin binding domain Probe Docking |
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