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

作者：Wang, Xiaobin; Wang, Mengqi; Yan, Jinghua; Chen, Min; Wang, An; Mei, Yudong; Si, Weijie; Yang, Chunlong^*

来源：ChemistrySelect, 2018, 3(38): 10663-10669.

DOI：10.1002/slct.201801575

• Antifungal activity
• 3D-QSAR
• Hydrazide
• Quinazolin-4(3H)-one
• Rhizoctonia solani

A series of quinazolin-4(3H)-one derivatives containing a hydrazide moiety were designed, synthesized and characterized in detail via FT-IR, (HNMR)-H-1, (CNMR)-C-13 and HRMS spectra. The antifungal activities against Rhizoctonia solani (Rs) and Fusarium graminearum (Fg) were evaluated invitro. The bioassay results indicated that most of the title compounds exhibited significant antifungal activities against Rs and Fg. Strikingly, the EC50 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(3H)-one derivatives containing a hydrazide moiety.

• 出版日期2018-10-17
• 单位南京农业大学