新型杀虫剂含有丁化物的甲基桑丁衍生物:合成,晶体结构,生物活动评估,DFT计算和分子对接
Lei Wang1, Wenqi Fan1, Na Yang1
1State Key Laboratory of Elemento-Organic Chemistry, College of Chemistry, Nankai University, Tianjin, 300071, China.
Chemistry & biodiversity
|April 30, 2024
概括
研究人员设计了新型含有布丁诺利德的甲基丁衍生物作为潜在的新型杀虫剂. 化合物Ic和Iq对钻石背的杀虫活性显著,超过了flupyradifurone的杀虫活性.
科学领域:
- 农业化学的研究和开发.
- 有机合成和药用化学
- 昆虫毒理学和害虫管理
背景情况:
- 自然产品是发现新农药的基础.
- 咖啡因和stemofoline是具有农业化学开发潜力的天然产品.
- 弗鲁皮拉迪龙是一种已知的昆虫杀虫剂,来源于stemofoline.
研究的目的:
- 设计和合成含有布诺利德的新型甲基丁衍生物.
- 评估这些新化合物对各种农业害虫的杀虫活性.
- 调查结构-活动关系和潜在的作用机制.
主要方法:
- 合成含有布丁诺利德的新型甲基丁衍生物 (Ia-Ir).
- 使用NMR光谱,HRMS和X射线衍射进行结构确认.
- 对东方军虫,豆,钻石背,秋季军虫,棉花虫和玉米虫的生物评估.
- 确定LC50值和相对杀虫活性.
- DFT计算和分子对接用于化合物Ic.
主要成果:
- 成功合成并阐明I-Ir.化合物的结构.
- 化合物Ic和Iq对钻石背有强大的杀虫活性.
- 对Ic和Iq的LC50值分别为6.187毫克/升和3.269毫克/升.
- Ic和Iq的相对杀虫活性是flupyradifurone的2.5倍和4.8倍.
- DFT和分子对接研究为Ic.Ic的潜在作用模式提供了洞察力.
结论:
- 合成的含有布丁诺利德的甲基丁衍生物显示出作为新型杀虫剂的前景.
- 化合物 Ic 和 Iq 是在杀虫剂开发中进一步优化的主要候选物.
- 咖啡因和布诺利德基因的整合为设计新农药提供了一个可行的策略.
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