Journal of Agricultural and Food Chemistry2022,Vol.70Issue(36) :14.DOI:10.1021/acs.jafc.2c00785

Bioisosterism and Scaffold Hopping in Modern Nematicide Research

Xiaofeng Cao Haiping Yang Cheng Liu
Journal of Agricultural and Food Chemistry2022,Vol.70Issue(36) :14.DOI:10.1021/acs.jafc.2c00785

Bioisosterism and Scaffold Hopping in Modern Nematicide Research

Xiaofeng Cao 1Haiping Yang 1Cheng Liu1
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作者信息

  • 1. Shanghai Key Laboratory of Chemical Biology,School of Pharmacy,East China University of Science and Technology,Shanghai 200237,People's Republic of China
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Abstract

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.

Key words

bioisosterism/molecular design/nematicidal activity/fluensulfone/sulfone amide replacement/chain extension/reversal of amide group

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出版年

2022
Journal of Agricultural and Food Chemistry

Journal of Agricultural and Food Chemistry

CCREI
ISSN:0021-8561
被引量12
参考文献量82
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