title: Synthesis, antifungal activities and 3D-QSAR study of N-(5-substituted-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamides.
abstract: 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.
authors.affiliation: State-Key Laboratory of Elemento-Organic Chemistry, National Pesticidal Engineering Centre (Tianjin), Tianjin Key Laboratory of Pesticide Science, Nankai University, Tianjin, China.
authors.forename: Xing-Hai
authors.initials: XH
authors.lastname: Liu
authors.forename: Yan-Xia
authors.initials: YX
authors.lastname: Shi
authors.forename: Yi
authors.initials: Y
authors.lastname: Ma
authors.forename: Chuan-Yu
authors.initials: CY
authors.lastname: Zhang
authors.forename: Wei-Li
authors.initials: WL
authors.lastname: Dong
authors.forename: Li
authors.initials: L
authors.lastname: Pan
authors.forename: Bao-Lei
authors.initials: BL
authors.lastname: Wang
authors.forename: Bao-Ju
authors.initials: BJ
authors.lastname: Li
authors.forename: Zheng-Ming
authors.initials: ZM
authors.lastname: Li
mesh_terms: D000577:Amides / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D000935:Antifungal Agents / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D003521:Cyclopropanes / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology*; D005658:Fungi / Q000187:drug effects*; D008958:Models, Molecular; D008968:Molecular Conformation; D021281:Quantitative Structure-Activity Relationship
chemical_list: D000577:Amides; D000935:Antifungal Agents; D003521:Cyclopropanes; C538819:cyclopropanecarboxamide