Journal
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
Volume 44, Issue 7, Pages 2782-2786Publisher
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER
DOI: 10.1016/j.ejmech.2009.01.012
Keywords
Cyclopropanecarboxamide; 1,3,4-Thiadiazole; Antifungal activity; 3D-QSAR; Synthesis
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Funding
- National Key Basic Research Program of China [2003 CB114406]
- National Natural Science Foundation Key Project of China [20432010]
- High Performance Computing Project of Tianjin Ministry of Science and Technology of China [043185111-5]
- Natural Science Foundation Project of Tianjin Ministry of Science and Technology of China [07JCYBJC00200, 08JCYBJC00800]
- Specialized Research Fund for the Doctoral Program of Higher Education [20070055044]
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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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