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合成,生物特性和分子对接研究的新的1,2,3-三-8-氨醇混合体

Mohamed El Faydy¹, Loubna Lakhrissi^1,2, Naoufel Dahaieh³

¹Laboratory of Organic Chemistry, Catalysis, and Environment, Department of Chemistry, Faculty of Sciences, Ibn Tofaïl University, PO Box 133 Kenitra 14000, Morocco.

|June 17, 2024

概括

新的1,2,3-triazole-8-quinolinol混合物显示出强大的抗菌活性. 混合体7的疗效与尼特洛克索林相当,其活性与电子捐赠替代剂有关.

科学领域:

药用化学医学化学
有机合成有机合成
计算化学计算化学

背景情况:

抗生素耐药性的出现需要开发新的抗菌剂.
素衍生物,包括8-素醇,已经显示出作为抗微生物支架的前景.
1,2,3-三醇是具有多种生物活性的多功能异环化合物.

研究的目的:

为了合成新的1,2,3-三-8-醇混合物.
为了评估这些杂交物对各种细菌菌株的体外抗菌活性.
阐明结构-活性关系 (SAR) 并探索潜在的治疗应用.

主要方法:

1,2,3-三醇-8-醇混合物的单步合成,使用单位替代的乙二和5-二甲基-8-醇.
通过核磁共振 (NMR) 光谱和元素分析进行表征.
抗菌试验 (磁盘扩散,MIC) 针对大肠杆菌,黄金杆菌和细菌.
结构与活动关系 (SAR) 分析.
量子化学计算 (高斯软件) 和分子对接研究.
吸收,分布,新陈代谢,分泌和毒性 (ADME/T) 概况.

主要成果:

一系列1,2,3-triazole-8-quinolinol混合物的成功合成,产量很好.
混合体7表现出显著的抗菌活性,MIC值为10-20μg/mL对测试细菌,与氧相比.
SAR研究表明,在三醇环的4位处的电子捐赠替代物增强了抗菌活性.
计算研究提供了关于与标蛋白的结合亲和和相互作用的见解.
根据ADME/T的分析,它有可能用于治疗.

结论:

合成的1,2,3-triazole-8-quinolinol混合物代表了一类有前途的抗菌剂.
混合体7是一种化合物,具有强烈的作用,可以对抗阳性和阴性细菌.
这些混合物的进一步开发,以SAR和计算数据为指导,可能会导致新的抗菌药物.

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