文献类型：期刊文献

英文题名：Bioisosterism and Scaffold Hopping in Modern Nematicide Research

作者：Cao, Xiaofeng[1];Yang, Haiping[1];Liu, Cheng[1];Zhang, Ruifeng[1];Maienfisch, Peter[1,2];Xu, Xiaoyong[1]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China;[2]CreInSol Consulting Biocontrols, CH-4118 Rodersdorf, Switzerland

年份：2022

卷号：70

期号：36

起止页码：11042

外文期刊名：JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

收录：;EI(收录号：20222212184315);WOS:【SCI-EXPANDED(收录号:WOS:000820262600001)】；

基金：This work was financial supported by the National Natural Science Foundation of China (21672061) and the National Key Research Program of China (2018YFD0200105) . This work was also supported by the Innovation Program of Shanghai Municipal Education Comm ission (201701070002E00037) and the Fundamental Research Funds for the Central Universities.

语种：英文

外文关键词：bioisosterism; molecular design; nematicidal activity; fluensulfone; sulfone amide replacement; chain extension; reversal of amide group

摘要：The application of agrochemicals is critical to global food safety. Nowadays, environmentally friendly green agrochemicals are the trend in field crop protection. The research and development of nematicides absorbed more attention as a typical representation of agrochemicals. This review describes the origin of recently commercialized nematicides, the application of bioisosterism and scaffold hopping in the discovery and optimization of agrochemicals, especially nematicides, and novel bioisosteric design strategies for the identification of fluensulfone analogues. Pesticide repurposing, high-throughput screening, computer-aided drug design, and incorporation of known pharmacophoric fragments have been the most successful approach for the discovery of new nematicides. As outlined, the strategies of bioisosteric replacements and scaffold hopping have been very successful approaches in the search for new nematicides for sustainable crop protection. In the exploration of novel fluensulfone analogues with nematicidal activity, bioisosteric replacement of sulfone by amide, chain extension by insertion of a methylene group, and reversal of the amide group have proven to be successful approaches and yielded new and highly active fluensulfone analogues. These attempts might result in compounds with an optimal balance of steric, hydrophobic, electronic, and hydrogen-bonding properties and contribute to deal with the complex problem during the research and development of new nematicides. Further ideas are also put forward to provide new approaches for the molecular design of nematicides.