| 农药7322系列的电子结构和构效关系以及与农药7323的比较 |
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| 引用本文： | 周为群,施卫平,张振江,黄小琴,谢超.农药7322系列的电子结构和构效关系以及与农药7323的比较[J].苏州大学学报(医学版),2000,16(3):72-76. |
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| 作者姓名： | 周为群 施卫平 张振江 黄小琴 谢超 |
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| 作者单位： | [1]苏州大学理学院化学化工系,江苏苏州 [2]苏州市五官科医院,江苏苏州 |
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| 摘 要： | 对７３２２系列农药应用ＭＯＰＡＣ程序包ＭＡ１方法进行量子化学计算，讨论它们的电子结构特征和结构活性关系，并对此系列进行比较，为探讨并开发该类化合物的药物性能及对家蚕微粒子病的作用机理和药物分子结构设计提供指导。
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| 关 键 词： | 农药 电子结构 量化计算 |
| 文章编号： | 1000-2073(2000)03-0072-05 |
| 修稿时间： | 2000-03-10 |
Studied on electronic structure and structure-activity relationship of agriculture drugs 7322 and its analogs and in comparison with agriculture drug of 7323 |
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| ZHOU Wei-qun,SHI Wei-ping,ZHANG Zhen-jiang,HUANG Xiao-qin,XIE Cao.Studied on electronic structure and structure-activity relationship of agriculture drugs 7322 and its analogs and in comparison with agriculture drug of 7323[J].Journal of Suzhou University(Natural Science),2000,16(3):72-76. |
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| Authors: | ZHOU Wei-qun SHI Wei-ping ZHANG Zhen-jiang HUANG Xiao-qin XIE Cao |
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| Institution: | ZHOU Wei-qun
,SHI Wei-ping
,ZHANG Zhen-jiang
,HUANG Xiao-qin
;(Dept. Of Chemistry and Chemical Engin., School of Sci., Suzhou Univ., Suzhou 215006, China);XIE Cao
;(Suzhou E-E-N-T Hospital,Suzhou 215006, China) |
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| Abstract: | Agriculture drug 7322and its analogs have good curative effect to microparticle disease of do mestic silkworms. In this paper, the semiexperience self consistent field MO(AM1)calculations have been undertaken for 7322 and its analogs. Their active site, way of action and structure-activity relationship have been discussed on the basis of studies of electronic structure and correlative analogs. It is found that there results show a way for composition of agriculture drugs. |
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| Keywords: | agriculture drugs electronic structure quantum chemistry calculation |
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