Synthesis, fungicidal activity, and 3D-QSAR of tetrazole derivatives containing phenyloxadiazole moieties.
作者： Yi-Tao Li , Wen-Qiang Yao , Si Zhou , Jun-Xing Xu , Hui Lu
DOI: 10.1016/J.BMCL.2020.127762
关键词: Bioassay 、 Combinatorial chemistry 、 Chemistry 、 Fungicide 、 Tetrazole 、 Field analysis 、 Quantitative structure–activity relationship
摘要: Abstract In an effort to discover new agents with good fungicidal activities against CDM (cucumber downy mildew), a series of tetrazole derivatives containing phenyloxadiazole moieties were designed and synthesized. The EC50 values for determined. Bioassay results indicated that most synthesized compounds exhibited potential in vivo activity CDM. A CoMFA (comparative molecular field analysis) model based on the bioactivity was developed identify some primary structural quality efficiency. q2 r2 established 0.791 0.982 respectively, which reliability predict abilities verified. Three analogues (q3, q4, q5) model. All these significant 1.43, 1.52, 1.77 mg·L−1. This work could provide useful instruction further structure optimization.
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