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氰基丙烯酸酯类化合物的3D-QSAR研究
3D-Quantitative Structure—Activity Relationships Of Cyanoacrylate Inhibitors
【Abstract】 D\|Quantitative Structure—Activity Relationships of a series of cyanoacrylate inhibitors which are known to act by blocking photosynthetic electron transport close to photosystem II reaction center in the thylakoid membranes of plant chloroplasts have been investigated using comparative molecular field analysis(CoMFA). The active conformations of the title compounds were obtained by constrained systematic search program. The resulting CoMFA model with considerable predictive ability shows that the contribution of steric effects for activities of cyanoacrylate inhibitors is more important than electrostatic effects.
【关键词】 D Quantitative structure;
Activity Relationships;
Cyanoacrylate inhibitors;
【Key words】 D Quantitative structure; Activity Relationships; Cyanoacrylate inhibitors;
【Key words】 D Quantitative structure; Activity Relationships; Cyanoacrylate inhibitors;
【基金】 天津市教委资助
- 【文献出处】 计算机与应用化学 ,COMPUTERS AND APPLIED CHEMISTRY , 编辑部邮箱 ,2000年Z1期
- 【分类号】S482.4
- 【被引频次】5
- 【下载频次】88