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Updated: Jun 2, 2025

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基于分子对接的设计和开发的pyrazol-5-ylbenzamide衍生物含有奇拉性oxazoline部分作为杀菌剂
Xiang Cheng1, Zhen Zhang1, Yuanjian Huang1
1College of Materials and Chemistry and School of Plant Protection, Anhui Agricultural University, Hefei, China.
Pest management science
|January 16, 2025
概括
新型性pyrazol-5-yl-benzamide衍生物显示强大的抗真菌活性对抗Valsa mali. 这些化合物,特别是 (S) -4h,为作物保护提供了有希望的替代品,降低了耐药性风险,对蜜蜂没有毒性.
科学领域:
- 农业化学品 农业化学品 农业化学品
- 药用化学 医学化学
- 植物病理学 植物病理学
背景情况:
- 迫切需要新的性抗真菌剂来对抗植物病原体.
- 开发含有 chiral oxazoline 部分的 pyrazol-5-yl-benzamide 衍生物.
研究的目的:
- 设计和合成新型性pyrazol-5-yl-benzamide衍生物.
- 评估它们对植物病原体的抗真菌活性,特别是Valsa mali.
- 调查结构-活动关系和作用机制.
主要方法:
- 由分子对接指导的理性设计.
- 在体外抗真菌测定和体内保护性活性测试.
- 分子对接,酶抑制试验,分子动力学模拟,CLSM,SEM,理论计算和阻力频率研究.
主要成果:
- 化合物 (rac) -4h, (S) -4h和 (R) -4h对V. mali表现出显著的抗真菌活性 (EC50值分别为0.24,0.06和1.08 mg/L).
- (S) -4h和 (R) -4h在体内显示出与特布可纳可比的保护活性.
- 机制可能涉及抑制糖酸脱酶 (SDH); (S) -4h和 (R) -4h导致V. mali菌体形态的严重破坏.
- 与特布可纳相比,耐药性发展的可能性较低,对Apis mellifera L.没有观察到毒性.
结论:
- 合成的pyrazol-5-yl-benzamide衍生物是新性真菌杀菌剂的潜在候选者.
- 这些化合物提供有效的作物保护,具有有利的耐药性和对授粉者的安全性.
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