硫胺的抗菌评价与丁皮里米丁共平面结构的合后的硫胺
Elshaymaa I Elmongy1, Wejdan S Alanazi2, Alhanouf I Aldawsari2
1Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Helwan University, Ain Helwan, Cairo P.O. Box 11795, Egypt.
Pharmaceuticals (Basel, Switzerland)
|February 24, 2024
概括
研究人员合成了新的硫胺-硫胺混合物. 化合物12ii表现出强烈的抗菌活性对黄金葡萄球菌和大肠杆菌,而化合物8iii表现出强烈的抗真菌特性.
科学领域:
- 药用化学 医学化学
- 药物发现 药物发现 药物发现
- 计算化学计算化学
背景情况:
- 抗微生物耐药性需要开发新的治疗药物.
- 硫胺和硫胺是众所周知的具有多种生物活性的药.
- 混合分子为提高疗效和新的作用机制提供了潜力.
研究的目的:
- 设计和合成新型的硫胺-硫胺混合物.
- 评估合成化合物的in-silico和in-vitro抗菌活性.
- 为了确定具有潜在抗菌和抗真菌特性的化合物.
主要方法:
- 合成了三系列的硫胺-硫胺混合物.
- 在中选,准二叶酸减少酶 (抗菌) 和烯环氧化酶 (抗真菌).
- 在体外抗菌试验中,使用阿加井扩散和最小抑制度 (MIC) 对细菌菌株和Candida菌株的测试.
主要成果:
- 所有化合物都表现出有前途的结合亲和力在中,适合性低于1.9 Å.
- 化合物8iii和12ii对黄金葡萄球菌和大肠杆菌有显著的抗菌活性.
- 化合物8iii对Candida菌株表现出最佳的抗真菌活性,而化合物12ii对烯环氧化酶表现出最高的对接结合能.
结论:
- 合成的锡诺皮里米丁-硫胺混合物是具有有前途的抗菌活性的潜在类似药物的候选物.
- 化合物12ii成为一种强大的抗菌剂,与分子对接研究一致.
- 化合物8iii显示出显著的抗真菌潜力,需要进一步调查.
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