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作为抗菌剂的新型triazole-isoxazole混合物:设计,合成,表征,在体外和在研究

Rachid Bouzammit¹, Salim Belchkar², Mohamed El Fadili³

¹Engineering Laboratory of Organometallic and Molecular Materials and Environment, Faculty of Sciences Dhar El Mahraz, University Sidi Mohamed Ben Abdellah, P.O. Box 1796, Atlas, Fez 30000, Morocco.

Molecules (Basel, Switzerland)

|June 19, 2024

概括

合成了新的异醇-三醇合物,并对抗菌活性进行了测试. 化合物7b对致病细菌表现出强烈的活性,具有良好的药物动力学特性和杀菌机制,由in silico研究证实.

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:

新兴的抗生素耐药性需要开发新的抗菌剂.
异醇和三醇分类是已知的具有多种生物活性的药.

研究的目的:

为了合成新型的异醇-三醇合物.
为了评估合成化合物的体外抗菌活性.
研究有前途的候选药物的作用机制和药理动力学特性.

主要方法:

starting from 3-formylchromone.从3-formylchromone开始的异醇-三醇合物的多步合成.
使用NMR (H,C) 和质谱法 (MS) 的结构性表征.
针对*黄金葡萄球菌*和*大肠杆菌*菌株的抗菌查,包括临床分离物.
最低杀菌度 (MBC) 的确定.
通过ADMET的药理动力学分析.
分子对接和分子动力学模拟.

主要成果:

实现了新型异醇 - 三醇合物的高效合成.
与标准抗生素相比,化合物7b对*Escherichia coli*ATCC 25922和*Pseudomonas aeruginosa*表现出优越的抗菌活性.
化合物7b对大肠杆菌具有杀菌作用 ATCC 25922.2.
对于化合物7b,观察到有利的ADMET配置和良好的口服生物可用性.
在 silico 研究支持了 in vitro 发现,阐明了抑制机制和结合相互作用.

结论:

合成的异醇-三醇合物代表了一类有前途的抗菌剂.
化合物7b是一种强大的杀菌剂,具有有利的药理动力学特性.
对化合物7b进行进一步的研究是有必要的,因为它可能对抗细菌感染的治疗应用.

关键词:

在ADMET中,ADMET的属性是:它具有抗菌活性,具有抗菌活性.动态分子分子动态分子.艾索克萨 (ISOXAZOL) 是一种分子对接的分子对接.综合合成是一种合成.三醇三醇的使用方法

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