| 真蛸胺类杀虫剂药效团模型的确定 |
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| 引用本文： | 周卫红,文欣,刘小兰,缪方明.真蛸胺类杀虫剂药效团模型的确定[J].计算机与应用化学,2000,17(4):341-343. |
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| 作者姓名： | 周卫红 文欣 刘小兰 缪方明 |
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| 作者单位： | 天津师范大学晶体化学研究所,天津,300074 |
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| 摘 要： | 用比较分子场分析方法（ＣｏＭＦＡ）研究了２１种真蛸胺类杀虫剂的三维定量构效关系，确定了药效团模型，得到了具有较好预测能力的ＣｏＭＦＡ模型。研究表明，苯环与支链Ｎ原子及它们间的距离对于这些化合物的活性有重要影响，而且立体与静电场对其药效均起作用。
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| 关 键 词： | 真蛸胺类杀虫剂 三维定量构效关系 药效团 AoMFA |
| 修稿时间： | 1999-01-04 |
The Pharmocophore Determination of Octopamine Insecticides |
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| ZHOU Wei-hong,WEN Xin,LIU Xiao-lan,MIAO Fang-ming.The Pharmocophore Determination of Octopamine Insecticides[J].Computers and Applied Chemistry,2000,17(4):341-343. |
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| Authors: | ZHOU Wei-hong WEN Xin LIU Xiao-lan MIAO Fang-ming |
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| Abstract: | The three dimensional structure activity relationship(3D QSAR)of the 21 octopamine insecticides and the pharmocophore were determinated using comparative molecular field analysis(CoMFA) method. The CoMFA model has good predictive ability. The benzene ring and side chain nitrogen atom and the distance between them have important influence on the activities of these compounds as well as steric field and electrostatic effect. |
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| Keywords: | octopamine insecticides 3D QSAR CoMFA pharmocophore determination |
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