新型s-triazine与三种不同的杂交药理相结合的合成,分子动力学模拟和抗菌活性
Riki P Tailor1, Krupa G Prajapati2, Mustafa Alhaji Isa3
1Sheth M. N. Science College, Patan, Gujarat, India.
Biochemical and biophysical research communications
|January 24, 2025
概括
新型s-triazine化合物显示出广泛的抗微生物和抗真菌活性. 这些新的候选药物显示出对抗耐药细菌,真菌和结核病的潜力,为新的治疗提供了希望.
科学领域:
- 药用化学 医学化学
- 有机合成 有机合成
- 药理学 药理学是指药理学的学科.
背景情况:
- 微生物感染和耐药性对全球健康构成重大挑战.
- 迫切需要新的治疗药物来对抗耐药性病原体.
- s-Triazine衍生物因其多样化的生物活性而受到探索.
研究的目的:
- 设计,合成和评估新的s-triazine结合的药理.
- 评估合成化合物的抗微生物,抗真菌和抗结核活性.
- 研究这些化合物的结构-活性关系 (SAR) 和分子相互作用.
主要方法:
- 合成1-乙pyrazoline (5a-e),2-aminopyrimidine (6a-e) 和1,5-benzodiazepine (7a-e) 的衍生品,这些衍生品来自石.
- 使用FTIR,NMR和质谱学进行表征.
- 在 (分子对接,MD模拟) 和体外抗菌/抗真菌试验 (MIC确定).
主要成果:
- 化合物5c,5e,6d,7a,7d和7e显示出显著的抗菌活性 (MIC5062.5μg/mL) 对阳性和阴性细菌.
- 化合物5b,6a,6c,7b和7c对Candida albicans和Aspergillus物种表现出强大的抗真菌活性.
- 化合物5c,6a,6d,7a和7d显示出对Mycobacterium tuberculosis H37Rv.有前途的抗菌活性.
- 分子对接和模拟显示了6c,6e,7a和7e的稳定复合体.
结论:
- 合成的s-triazine衍生物具有广泛的抗微生物和抗真菌特性.
- 化合物7a表现出优异的抗菌菌活性,而6c显示出显著的抗真菌功效.
- 这些新型化合物代表了开发新的抗感染药物来打击耐药性的潜在线索.
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