Synthesis, antifungal activities and 3D-QSAR study of N-(5-substituted-1,3, 4-thiadiazol-2-yl)cyclopropanecarboxamides

文献类型： 外文期刊

第一作者： Shi, Yan-Xia

作者： Shi, Yan-Xia;Li, Bao-Ju;Liu, Xing-Hai;Ma, Yi;Zhang, Chuan-Yu;Dong, Wei-Li;Pan, Li;Wang, Bao-Lei;Li, Zheng-Ming

作者机构：

关键词： Cyclopropanecarboxamide;1,3,4-Thiadiazole;Antifungal activity;3D-QSAR;Synthesis

期刊名称：EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY （ 影响因子：6.514； 五年影响因子：6.099 ）

ISSN： 0223-5234

年卷期： 2009 年 44 卷 7 期

页码：

收录情况： SCI

摘要： A series of cyclopropanecarboxamide were prepared and tested for antifungal activity in vivo. The preliminary bioassays indicated that some compounds are comparable to the commercial fungicides. To further explore the comprehensive structure-activity relationship on the basis of fungicidal activity data, comparative molecular field analysis (CoMFA) was performed, and a statistically reliable model with good predictive power (r(2) = 0.8, q(2) = 0.516) was achieved. Based on the CoMFA, compound 7p was designed and synthesized, which was found to display a good antifungal activity (79.38%) as 7g and 7h. (C) 2009 Elsevier Masson SAS. All rights reserved.

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