| 抗癌药物分子中活性基团的电子结构和活泼原子模式 |
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| 引用本文： | 李俊篯,杨融生,陈元柱,徐本杰.抗癌药物分子中活性基团的电子结构和活泼原子模式[J].福州大学学报(自然科学版),1988(2):109-115. |
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| 作者姓名： | 李俊篯 杨融生 陈元柱 徐本杰 |
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| 作者单位： | 福州大学化学系，福州大学化学系，中国科学院，福建物质结构研究所 |
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| 摘 要： | 本文总结了七种抗癌活性基团的结构特征并对它们的电子结构进行了半经验的量子化学计算，得山这些活性基团的亲电性质，计算了原子活性指标Ｓｒ’（Ｎ），并对活泼原子进行了化学加成实验验证，提出了抗癌药物通过其活性基团中的活泼原子与机体蛋白中的氨基酸反应的模式．
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| 关 键 词： | 电子结构 抗癌药物 抗癌机理 |
The Electronic Structure and Active Atom Model of the Active Radical in Anticancerous Medicine Molecule |
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| Li Junqian,Yang Rongsheng.The Electronic Structure and Active Atom Model of the Active Radical in Anticancerous Medicine Molecule[J].Journal of Fuzhou University(Natural Science Edition),1988(2):109-115. |
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| Authors: | Li Junqian Yang Rongsheng |
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| Institution: | Li Junqian; Yang Rongsheng (Department of Chemistry ) Chen Yuanzhu; Xu Benjie (Fujian Institute of Research on the Structure of Matter, Academia Sinica ) |
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| Abstract: | In this paper, We Summarized the structural characterization of seven anti- cancerous active radicals and calculated their electronic structures by semi-ex - perimential quantum chemistry method. The calculation results show that the ac- tive radicals have electronphilic properties. There is proposed the active atom model in the electronqhilic addition reaction of the active radicals. The calcula- ted values of the frontier superdelocalizability Sr' (N)and Biomimetic reaction of Rubescensine-A with L-cysteine come to support this model. |
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| Keywords: | electronic structure anticancerous medicine anticancerous mechanism |
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