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通过跳架策略,基于结构发现了新的酸脱酶抑制剂

Yuan-Hui Huang¹, Ge Wei¹, Wen-Jie Wang¹

¹National Key Laboratory of Green Pesticide, Key Laboratory of Pesticide & Chemical Biology of Ministry of Education, International Joint Research Center for Intelligent Biosensor Technology and Health of Ministry of Science and Technology, Central China Normal University, Wuhan 430079, People's Republic of China.

Journal of agricultural and food chemistry

|September 22, 2023

概括

新型的酸脱酶抑制剂 (SDHI) 是使用脚手架跳跃设计的. 新的gem-dichloralkene衍生物对粉状菌表现出强烈的活性,性能优于现有的治疗方法.

科学领域:

药用化学医学化学
农业化学品农业化学品农业化学品
分子设计分子设计

背景情况:

脚手架跳跃是分子设计中开发新生物活性化合物的关键策略.
酸脱酶抑制剂 (SDHI) 对于控制农业中的真菌病至关重要.

研究的目的:

设计和合成使用脚手架跳跃方法的新型酸脱酶抑制剂 (SDHI).
探索双二烯 (gem-dichloralkenes) 作为新型SDHI的核心结构的潜力.

主要方法:

采用了脚手架跳跃策略来设计含有宝石二甲基碎片的化合物.
合成了一系列N-cyclopropyl-dichloralkenes-pyrazole-carboxamide衍生物的系列.
评估了对猪酸脱酶 (SDH) 的抑制活性和对小麦和黄瓜粉的杀菌疗效.

主要成果:

化合物G28和G40表现出强大的SDH抑制活性 (纳米分子范围内的IC50值),超过了化合物pydiflumetofen.
化合物G37和G34对小麦粉 (WPM) 和黄瓜粉 (CPM) 分别表现出高效.
计算分析揭示了宝石二甲基碎片和化和SDH的关键相互作用.

结论:

一个新的gem-dichloralkene脚手架通过脚手架跳跃成功开发.
合成的衍生品具有出色的杀菌性能,具有农业应用的潜力.
这项研究为控制粉状菌疾病提供了有希望的新线索.

关键词:

黄瓜粉状菌在黄瓜粉状菌中停靠的对接方式宝石-二甲基基因宝石-二甲基因在脚手架上跳跃跳跃.简化脱酶的作用.小麦粉状菌麦粉粉状菌

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