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Agrochemical lead optimization by scaffold hopping
Pest Management Science ( IF 3.8 ) Pub Date : 2017-12-01 , DOI: 10.1002/ps.4755
Clemens Lamberth 1
Pest Management Science ( IF 3.8 ) Pub Date : 2017-12-01 , DOI: 10.1002/ps.4755
Clemens Lamberth 1
Affiliation
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Scaffold hopping, the exchange of a specific portion of a potential active ingredient with another substructure with the aim of finding isofunctional molecular structures with significantly different molecular backbones, often offers the chance in lead discovery or optimization to mitigate problems related to toxicity, intellectual property, and insufficient potency or stability. Scaffold hopping tools such as isosteric ring replacement including 1,3 nitrogen shift and cyclic imine–amide isosterism, but also ring opening and ring closure approaches, functional group isosterism, reversion of functional groups, chain shortening, chain lengthening, and scaffolds delivered by natural products, have become a permanent fixture of the innovation and optimization process in crop protection research. Their appropriate use will be explained through examples of success stories in the field of agrochemistry. Analogies to, but also differences from, the main categories of scaffold hopping in medicinal drug discovery are discussed. © 2017 Society of Chemical Industry
中文翻译:
脚手架跳跃法优化农用化学品铅
脚手架跳跃是指潜在活性成分的特定部分与另一亚结构的交换,目的是寻找具有明显不同的分子骨架的同功能分子结构,常常为铅的发现或优化提供机会,以减轻与毒性,知识产权,效力或稳定性不足。脚手架跳跃工具,例如等位环取代,包括1,3氮转移和环状亚胺-酰胺等构,还包括开环和闭环方法,官能团等构,功能基团的还原,链缩短,链延长和天然释放的支架产品已经成为作物保护研究中创新和优化过程的永久固定装置。通过在农业化学领域的成功案例举例说明它们的适当用法。讨论了与药物研发中支架跳跃的主要类别的相似之处,也有不同之处。©2017化学工业协会
更新日期:2017-12-01
中文翻译:
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脚手架跳跃法优化农用化学品铅
脚手架跳跃是指潜在活性成分的特定部分与另一亚结构的交换,目的是寻找具有明显不同的分子骨架的同功能分子结构,常常为铅的发现或优化提供机会,以减轻与毒性,知识产权,效力或稳定性不足。脚手架跳跃工具,例如等位环取代,包括1,3氮转移和环状亚胺-酰胺等构,还包括开环和闭环方法,官能团等构,功能基团的还原,链缩短,链延长和天然释放的支架产品已经成为作物保护研究中创新和优化过程的永久固定装置。通过在农业化学领域的成功案例举例说明它们的适当用法。讨论了与药物研发中支架跳跃的主要类别的相似之处,也有不同之处。©2017化学工业协会