含有酸的内里斯托克辛衍生物的合成,生物活性和分子对接
Qiaoli Yan1, Xiaogang Lu1, Zixuan Zhang1
1State Key Laboratory of NBC Protection for Civilian, Beijing 102205, China.
Molecules (Basel, Switzerland)
|June 28, 2023
概括
新的酸和尼里斯托克辛衍生物显示出强大的杀虫活性. 这些化合物有效地抑制乙胆酶 (AChE),这表明对常见农业害虫的害虫控制策略有前途的机制.
科学领域:
- 有机化学 有机化学
- 药用化学 医学化学
- 毒理学 毒理学 毒理学
背景情况:
- 尼里斯托克辛类似物以其杀虫剂特性而闻名.
- 乙胆酶 (AChE) 是杀虫剂的一个关键点.
- 开发具有提高疗效的新型ACHE抑制剂对于害虫管理至关重要.
研究的目的:
- 合成和描述包含酸盐组的新型耐里斯托克辛衍生物.
- 评估这些化合物的体外抗胆化酶活性与人类ACHE相比.
- 评估合成化合物对关键农业害虫的体内杀虫活性.
主要方法:
- 使用NMR和HRMS合成和阐明含有酸盐的耐里斯托克辛衍生物的结构.
- 使用埃尔曼方法进行体外抗胆酶活性测定.
- 在体内对Mythimna separata,Myzus persicae和Rhopalosiphum padi进行杀虫生物测试.
- 分子对接研究以预测与ACHE的结合相互作用.
主要成果:
- 成功合成和描述了新型尼雷里斯托克辛衍生物.
- 大多数合成的化合物显示出人类乙胆酶的显著抑制.
- 这些化合物对M. separata,M. persicae和R. padi表现出强大的杀虫活性.
- 化合物7f和7b表现出特别强大的杀虫效果,而化合物7b对M. persicae和R. padi.具有高度活性.
- 对接研究表明,化合物与乙胆受体 (AchR) 相比,与 AChE 有有利的结合.
结论:
- 新型酸和尼里斯托克辛衍生物具有显著的抗胆化酶和杀虫活性.
- 这些化合物代表了开发针对ACHE的新杀虫剂的潜在候选者.
- 酸盐部分可能有助于增强这些尼雷里斯托克辛类型的结合亲和力和疗效.
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