氰基丙烯酸酯类化合物的3D-QSAR研究 |
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引用本文: | 刘小兰,孙命.氰基丙烯酸酯类化合物的3D-QSAR研究[J].计算机与应用化学,2000,17(1):11-12. |
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作者姓名: | 刘小兰 孙命 |
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摘 要: |
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关 键 词: | 氰基丙烯酸酯 除草剂 PSⅡ抑制剂 3D-QSAR |
3D-Quantitative Structure—Activity Relationships of Cyanoacrylate Inhibitors |
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Abstract: | 3D-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. |
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Keywords: | 3D quantitative structure activity relationships cyanoacrylate inhibitors |
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