文献类型：期刊文献

英文题名：Synthesis, Insecticidal Activities, and 3D-QASR of N-Pyridylpyrazole Amide Derivatives Containing a Phthalimide as Potential Ryanodine Receptor Activators

作者：Zhang, Lu[1];Chen, Ruijia[1];Li, Xiaoyang[1];Xu, Xiaoyong[1];Xu, Zhiping[1];Cheng, Jiagao[1];Wang, Yanli[1];Li, Yuxin[1];Shao, XuSheng[1];Li, Zhong[1]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China

年份：2022

卷号：70

期号：39

起止页码：12651

外文期刊名：JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

收录：;EI(收录号：20224012826067);WOS:【SCI-EXPANDED(收录号:WOS:000859569100001)】；

基金：? ACKNOWLEDGMENTS This work was financially supported by Innovation Program of Shanghai Municipal Education Commission (201701070002E00037) and National Key Research Program of China (2017YFD0200505) .

语种：英文

外文关键词：phthalimide; molecular docking; calcium imaging; COMFA; ryanodine receptor; DFT

摘要：To develop potent and environment-friendly insecticides, novel N-pyridylpyrazole amide derivatives containing a phthalimide were designed and synthesized. The preliminary bioassay results showed that most of the target compounds exhibited good insecticidal activities. For oriental armyworm (Mythimna separata), compounds E5, E29, E30, and E33 displayed higher than 90% lethal rates at 25 mg L-1. In particular, compound E33 displayed 60% mortality at a lower concentration of 6.25 mg L-1. Besides, compound E33 also showed a 30% lethal rate at 5 mg L-1 against diamondback moth (DBM) (Plutella xylostella). Molecular docking between the most active compound E33 and DBM ryanodine receptor (RyR), comparative molecular field analysis (CoMFA), and density functional theory (DFT) calculations were conducted and discussed. Furthermore, according to vitro studies using a calcium imaging technique, compound E33 was a potent novel lead targeting insect RyR.