| 苯甲酰胺类化合物的结构/活性的定量构效关系研究 |
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| 引用本文： | 吴亚平,许禄,周玉新,刘百里. 苯甲酰胺类化合物的结构/活性的定量构效关系研究[J]. 高等学校化学学报, 1998, 19(5): 294-298 |
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| 作者姓名： | 吴亚平 许禄 周玉新 刘百里 |
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| 作者单位： | 1. 中国科学院长春应用化学研究所,长春,130022
2. 沈阳药科大学,沈阳,110015 |
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| 摘 要： | 用分子连接性指数及比较分子力场分析分别研究了苯甲酰胺类化合物的结构与抗炎活性的关系，结果表明，三维空间上立体效应是描述该类化合物的抗炎活性和进行结构与性能关系研究的最重要的结构参数。
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| 关 键 词： | QSAR 构效关系 抗炎活性 CoMFA 苯甲酰胺类 |
Studies on Quantitative Structure-activity Relationship Between the Structures of Derivatives of Benzamide and Their Antiallergic Activities |
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| WU Ya-Ping,XU Lu,ZHOU YU-Xin,LIU Bai-Li. Studies on Quantitative Structure-activity Relationship Between the Structures of Derivatives of Benzamide and Their Antiallergic Activities[J]. Chemical Research In Chinese Universities, 1998, 19(5): 294-298 |
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| Authors: | WU Ya-Ping XU Lu ZHOU YU-Xin LIU Bai-Li |
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| Abstract: | Molecular connectivity index and comparative molecular field analysis (CoMFA)have been applied to the studies of the correlation of the derivatives of benzamide and their antiallergic activities. The results achieved by using CoMFA based on 3D factors are much better than that obtained by using multiple regression analysis based on majorly 2D structural information. The CoMFA results show that the dominant factor which affects activity is steric, whereas electrostatic effect only plays an unimportant role. |
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| Keywords: | D/3D QSAR Molecular connectivity index CoMFA Derivatives of benzamide |
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