结构优化,杀菌活动评估,DFT研究和多巴胺衍生物的结构-活性关系与波利拉基斯潜水中的佐片段
Yaxuan Wang1, Danling Huang1, Yong-Xian Cheng1
1School of Pharmacy, Shenzhen University Medical School, Shenzhen University, Shenzhen, 518055, P. R. China.
Chemistry & biodiversity
|June 5, 2023
概括
研究人员合成了20种新型多巴胺衍生物,其中含有佐醇片段,用于潜在的抗真菌应用. 两种化合物对Alternaria alternata表现出显著的活性,与商业真菌杀菌剂hymexazol相比.
科学领域:
- 药用化学 医学化学
- 有机合成 有机合成
- 农业科学 农业科学
背景情况:
- 两种多巴胺衍生物的先前分离与Polyrhachis潜水中的佐醇片段.
- 这些化合物作为结构,用于进一步优化和杀菌剂评估.
研究的目的:
- 设计和合成新型多巴胺衍生物,其中包含佐醇部分.
- 评估合成化合物对关键植物病原体的杀菌活性.
主要方法:
- 易于合成20种多巴胺衍生物,其中包括佐醇片段.
- 使用核磁共振 (1H-NMR, 13C-NMR) 和高分辨率质谱 (HMRS) 的结构特征.
- 在体外生物测试以确定对Alternaria alternata和Botrytis cinerea的杀菌活性.
主要成果:
- 大多数合成的化合物都表现出潜在的杀菌活性.
- 两个特定的衍生物, (E) -N-(2-([d]thiazol-6-yl) ethyl) -3-(p-tolyl) 烯胺和 (E) -N-(2-([d]thiazol-6-yl) ethyl) -3-(4-(trifluoromethyl) phenyl) 烯胺,显示出显著的疗效.
- 这些化合物相对于Alternaria alternata的EC50值分别为29.3 mg/L和10.7 mg/L.
结论:
- 合成的多巴胺衍生物与佐醇碎片显示出有前途的杀菌性质.
- 化合物的活性与已知的真菌杀菌剂海梅克萨相似,这表明农业应用的潜力.
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