Design, Synthesis and 3D‐QSAR of New Quinazolin‐4(3 H )‐one Derivatives Containing a Hydrazide Moiety as Potential Fungicides | Zendy

Wang Xiaobin | Zendy; Wang Mengqi | Zendy; Yan Jinghua | Zendy; Chen Min | Zendy; Wang An | Zendy; Mei Yudong | Zendy; Si Weijie | Zendy; Yang Chunlong | Zendy

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Design, Synthesis and 3D‐QSAR of New Quinazolin‐4(3 H )‐one Derivatives Containing a Hydrazide Moiety as Potential Fungicides

Author(s) -

Wang Xiaobin,

Wang Mengqi,

Yan Jinghua,

Chen Min,

Wang An,

Mei Yudong,

Si Weijie,

Yang Chunlong

Publication year - 2018

Publication title -

chemistryselect

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.437

H-Index - 34

ISSN - 2365-6549

DOI - 10.1002/slct.201801575

Subject(s) - moiety , hydrazide , chemistry , carbendazim , rhizoctonia solani , bioassay , antifungal , quantitative structure–activity relationship , stereochemistry , proton nmr , fungicide , combinatorial chemistry , organic chemistry , biology , botany , microbiology and biotechnology , genetics

A series of quinazolin‐4(3 H )‐one derivatives containing a hydrazide moiety were designed, synthesized and characterized in detail via FT‐IR, 1 H NMR, 13 C NMR and HRMS spectra. The antifungal activities against Rhizoctonia solani ( Rs ) and Fusarium graminearum ( Fg ) were evaluated in vitro . The bioassay results indicated that most of the title compounds exhibited significant antifungal activities against Rs and Fg . Strikingly, the EC 50 values of some title compounds against Rs are obviously superior to that of the positive control carbendazim. Based on the antifungal bioassay results against Rs , the comparative molecular filed analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) models were generated to investigate the structure‐activity relationship of title compounds against Rs . The analytical results indicated that these two models exhibited good predictive accuracies and could provide significant structural insights for the design of bioactive quinazolin‐4(3 H )‐one derivatives containing a hydrazide moiety.

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