| 抗HIV香豆素类化合物的构效关系研究 |
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| 引用本文： | 蒋启军 李文辉 曾和平 杨定乔. 抗HIV香豆素类化合物的构效关系研究[J]. 湖北大学学报(自然科学版), 2005, 27(4): 373-375,380 |
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| 作者姓名： | 蒋启军 李文辉 曾和平 杨定乔 |
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| 作者单位： | 孝感学院,化学系,湖北,孝感,432000;华南师范大学,化学系,广州,510631;华南师范大学,化学系,广州,510631 |
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| 摘 要： | 用AMI方法对20个四环香豆素类化合物进行了电子构型、电荷分布、优势构象的理论研究，着重对其构效关系进行了讨论．结果表明，具有药效作用的分子都有相似的优势构象．它为该类药物分子设计和相关酶结构分析提供了新思路．
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| 关 键 词： | 香豆素衍生物 抗爱滋病药物 AM1 优势构象 |
| 文章编号： | 1000-2375（2005）04-0373-03 |
| 收稿时间： | 2004-12-28 |
| 修稿时间： | 2004-12-28 |
Structure-activity relationship of coumarin derivatives for anti-HIV |
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| JIANG Qi-jun, LI Wen-hui, ZENG He-ping ,YANG Ding-qiao. Structure-activity relationship of coumarin derivatives for anti-HIV[J]. Journal of Hubei University(Natural Science Edition), 2005, 27(4): 373-375,380 |
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| Authors: | JIANG Qi-jun LI Wen-hui ZENG He-ping YANG Ding-qiao |
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| Affiliation: | 1. Department of Chemistry, Xiaogan University, Xiao Gan 432000, China ; 2. Department of Chemistry, South China Normal University, Guangzhou 510631, China |
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| Abstract: | The coumarin's compounds are known as a set of new drugs with anti-HIV.The structure-activity relationship is studied on twenty tetracyclic coumarin derivatives by using AM1 method,particularly in molecular structure,electronic configuration and predomination conformational analysis.The results show that all the effective molecules have the similar predomination conformations,which provides a new approach for drug design and related enzymic structure analysis. |
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| Keywords: | coumarin derivatives anti - AIDS drugs AM 1 predomination conformations |
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