| 嘧啶（氧）苯甲酸类除草剂的3D—QSAR研究 |
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| 引用本文： | 苏华庆,王瑾玲.嘧啶（氧）苯甲酸类除草剂的3D—QSAR研究[J].化学研究与应用,1999,11(6):626-629. |
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| 作者姓名： | 苏华庆 王瑾玲 |
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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： | 利用比较分子场分析 (Co MFA)方法 ,对 2 0种嘧啶 (氧 )苯甲酸类化合物进行了三维定量构效关系(3 D-QSAR)研究。得到了具有较强预测能力的 QSAR模型。并对此模型进行了验证 ,在此基础上 ,设计了具有更高活性的化合物。
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| 关 键 词： | 嘧啶(氧)苯甲酸 ALS抑制剂 三维定量构效关系(3D-QSAR) CoMFA |
3D-QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES OF PYRIMIDINYL(OXO) BENZOIC ACIDS |
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| Su Huaqing Wang Jinling,Li Aixiu Sun Ming Miao Fangming.3D-QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES OF PYRIMIDINYL(OXO) BENZOIC ACIDS[J].Chemical Research and Application,1999,11(6):626-629. |
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| Authors: | Su Huaqing Wang Jinling Li Aixiu Sun Ming Miao Fangming |
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| Institution: | Su Huaqing Wang Jinling * Li Aixiu Sun Ming Miao Fangming |
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| Abstract: | A series of 20 pyrimidinyl(oxo)benzoic acids compounds inhibiting ALS has been investigated by Comparative Molecular Field Analysis(CoMFA).Quantitative Structure Activity Relationship(3D QSAR)model with high predicablity was obtained.A model has been successfully employed to examine the predictive abilities of the CoMFA model against ALS.Some new compounds with higher activity have been designed by using this model. |
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| Keywords: | pyrimidinyl(oxo)benzoic acids ALS inhibitor 3D QSAR CoMFA |
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