| 非对称二甲基精氨酸二甲胺水解酶-2的理论研究 |
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| 引用本文： | 孙苗,曹苏明,张桂玲,张辉,刘波,李泽生.非对称二甲基精氨酸二甲胺水解酶-2的理论研究[J].分子科学学报,2009,25(2). |
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| 作者姓名： | 孙苗 曹苏明 张桂玲 张辉 刘波 李泽生 |
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| 作者单位： | 1. 哈尔滨理工大学化学与环境工程学院,黑龙江哈尔滨,150080
2. 哈尔滨工业大学理学院,黑龙江哈尔滨,150001 |
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| 基金项目： | 黑龙江省自然科学基金，黑龙江省博士后启动基金 |
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| 摘 要： | 利用同源模建的方法,构建了DDAH-2的三位结构.并与L-瓜氨酸、L-高半胱氨酸分别进行对接研究.其中,Asp77,Gly269,Glu27和Arg96是与L-瓜氨酸相互作用较强的残基,Asp77,His171,Asp125和Ala270是与-L高半胱氨酸相互作用较强的残基.尤其Asp77是在两种复合物中同时起重要作用的氨基酸,并且它与抑制剂之间都形成了氢键.
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| 关 键 词： | 同源模建 非对称二甲基精氨酸二甲胺水解酶-2 对接 |
Homology modeling of three-dimensional structure of dimethylarginine dimethylaminohydrolase-2(DDAH-2) and docking study on ligand |
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| SUN Miao,CAO Su-ming,ZHANG Gui-ling,ZHANG Hui,LIU Bo,LI Ze-sheng.Homology modeling of three-dimensional structure of dimethylarginine dimethylaminohydrolase-2(DDAH-2) and docking study on ligand[J].Journal of Molecular Science,2009,25(2). |
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| Authors: | SUN Miao CAO Su-ming ZHANG Gui-ling ZHANG Hui LIU Bo LI Ze-sheng |
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| Institution: | 1.College of Chemistry and Environmental Engineering;Harbin University of Science and Technology;Harbin 150080;China;2.College of Science;Harbin Institute of Technology;Harbin 150001;China |
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| Abstract: | Dimethylarginine dimethylaminohydrolase(DDAH) is involved in the regulation of nitric oxide synthase(NOS).The structure of DDAH might be useful in the therapeutic treatment of NOS dysfunction-diseases.3D structure of DDAH-2 was modeled by using Homology.With the aid of the automated molecular docking,the inhibition effect of L-citrulline and L-homocysteine for DDAH-2,respectively,were studied.By analyzing the structures of the enzyme in complex with L-citrulline,and L-homocysteine which has the lowest energ... |
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| Keywords: | homology DDAH-2 docking |
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