| 芳基三唑啉酮类除草剂三维定量构效关系研究 |
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| 引用本文： | 孙命,李爱秀,史云梅,王瑾玲,缪方明.芳基三唑啉酮类除草剂三维定量构效关系研究[J].天津师范大学学报(自然科学版),1999(2). |
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| 作者姓名： | 孙命 李爱秀 史云梅 王瑾玲 缪方明 |
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| 作者单位： | 天津师范大学晶体研究所 |
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| 摘 要： | 使用比较分子场分析法（ＣｏＭＦＡ），对１８种抑制原卟啉原氧化酶（ＰＰＯ）的芳基三唑啉酮类化合物进行了三维定量构效关系（ＱＳＡＲ）研究，得到了具有较强预测能力的ＱＳＡＲ模型．该模型显示空间场和静电场效应在抑制ＰＰＯ活性方面均起重要作用，模型对进一步设计、合成具有更高活性的新型除草剂具有指导意义
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| 关 键 词： | 芳基三唑啉酮 原卟啉原氧化酶 比较分子场分析法 三维定量构效关系 药效团 |
3D Quantitative Structure Activity Relationships (QSAR) of Herbicidal Aryltriazolinones |
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| Sun Ming,Li Ai xiu,Shi Yun mei,Wang Jin ling,Miao Fang ming.3D Quantitative Structure Activity Relationships (QSAR) of Herbicidal Aryltriazolinones[J].Journal of Tianjin Normal University(Natural Science Edition),1999(2). |
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| Authors: | Sun Ming Li Ai xiu Shi Yun mei Wang Jin ling Miao Fang ming |
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| Abstract: | A series of 18 substituted aryltriazolinons,known to inhibit protoporphyrinogen oxidase, were investigated by using comparative molecular field analysis (CoMFA) method. A CoMFA model with considerable predictive ability was obtained.The CoMFA model illustrated that both steric effect and eletrostatic effect were important for inhibiing the PPO activity.In the guide of the CoMFA model,we cansynthsized new herbicides with better activity. |
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| Keywords: | aryltriazolinons PPO CoMFA 3D QSAR active conformation |
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