| 距离比较法构建M1受体激动剂药效团模型 |
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| 引用本文： | 牛彦,裴剑锋,吕雯,雷小平.距离比较法构建M1受体激动剂药效团模型[J].化学学报,2005,63(22):2021-2026. |
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| 作者姓名： | 牛彦 裴剑锋 吕雯 雷小平 |
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| 作者单位： | 北京大学药学院药物化学系,北京,100083;北京大学化学与分子工程学院,北京,100871 |
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| 基金项目： | 国家自然科学基金（No.30271538）资助项目. |
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| 摘 要： | 在M1受体三维结构未知的情况下,利用距离比较法（DISCO）对24个具有M1受体激动活性的化合物进行了研究,构建了M1受体激动剂可能的药效团模型,为设计新M1受体激动剂提供了参考,并以此为提问结构在ACD数据库和中草药数据系统（TCMDB）中进行搜索,得到一系列结构新颖并可能具有M1激动活性的化合物.
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| 关 键 词： | M1受体激动剂 距离比较法 药效团模型 数据库搜索 |
| 收稿时间： | 2004-09-28 |
| 修稿时间： | 2004-09-282005-08-01 |
Construction of the Pharmacophore Models of M1 Receptor Agonists by Distance Comparison Method |
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| NIU Yan,PEI Jian-Feng,Lü Wena,LEI Xiao-Ping.Construction of the Pharmacophore Models of M1 Receptor Agonists by Distance Comparison Method[J].Acta Chimica Sinica,2005,63(22):2021-2026. |
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| Authors: | NIU Yan PEI Jian-Feng Lü Wena LEI Xiao-Ping |
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| Institution: | 1. School of Pharmaceutical Sciences, Peking University, Beijing 100083;2. College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 |
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| Abstract: | Not knowing the 3D structure of muscarinic receptors, the pharmacophore models of M1 agonists were constructed using 24 M1 receptor agonists by distance comparison method, providing a reference for designing new M1 agonists. A set of possible M1 agonists to be novel in structure were selected by searching ACD and TCMDB databases with the attained model as a query. |
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| Keywords: | M1 agonist distance comparison method pharmacophore model database searching |
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