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Solid-phase Synthesis of [4.4] Spirocyclic Oximes
Published on: February 6, 2019
发现含有氧胺乙烯的芳香胺衍生物,其向酸脱酶
Zesheng Hao1,2, Jintao Han1, Yue Zhang2,3
1Shandong Key Laboratory for Green Prevention and Control of Agricultural Pests, Shandong Academy of Pesticide Sciences, Shandong Academy of Agricultural Sciences, Jinan 250033, P. R. China.
研究人员设计了新型的酸脱酶抑制剂 (SDHI) 杀菌剂. 化合物I-9在Rhizoctonia solani的体外和体内表现出强大的活性,显示出作为一种新的杀菌剂的前景.
科学领域:
- 农业化学 农业化学
- 药用化学 医学化学
- 生物化学 生物化学
背景情况:
- 酸脱酶抑制剂 (SDHI) 是重要的杀菌剂.
- 开发具有更高效率和强度的新型SDHI对于作物保护至关重要.
研究的目的:
- 设计和合成含有异环氧胺-乙烯的新型化合物作为潜在的SDHI杀菌剂.
- 评估设计化合物的真菌杀菌活性在体外和体内对Rhizoctonia solani进行杀菌.
主要方法:
- 基于商业SDHI的药模拟的计算机辅助分子设计.
- 杀菌生物测试,以确定针对Rhizoctonia solani.的EC50值.
- 酶抑制试验 (IC50) 针对Rhizoctonia solani SDH (RsSDH) 的酶抑制试验.
- 分子对接和分子动力学模拟.
主要成果:
- 化合物I-9在实验室中表现出强烈的活性 (EC50 = 0.07μg/mL) 对抗Rhizoctonia solani,表现优于trifloxystrobin,与thifluzamide可比.
- 化合物I-1,I-3和I-9在体内表现出极好的活性,对抗R. solani.
- 化合物I-9表现出强烈的RSDH抑制 (IC50 = 0.35μg/mL),分子对接支持其与SDH活性部位的结合.
结论:
- 新型异环氧化氧胺-基支架是开发新的SDHI杀菌剂的有希望的基础.
- 化合物I-9是一种非常强大的基于SDH的杀菌剂候选物,具有进一步开发的巨大潜力.
- 分子建模研究为设计的SDHI化合物的作用机制提供了洞察力.
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