基于 thiazole 的硫胺衍生物及其银复合物的 in silico 研究,合成和抗性评估,预计具有碳酸胺酶抑制活性
Esraa Mahdi Naji1, Noor Hatef Naser2, Sahar Aqeel Hussein1
1Pharmaceutical Chemistry Department, Faculty of Pharmacy, Kufa University, Najaf, Iraq.
Journal of medicine and life
|April 8, 2024
概括
新型醇-硫胺衍生物显示出强大的抗癌活性. 化合物M5表现出与西斯丁可比的细胞毒性,突出显示了新的癌症疗法的潜力.
科学领域:
- 药用化学 医学化学
- 药物发现 药物发现 药物发现
- 计算化学的计算化学
背景情况:
- 硫胺衍生物因其多样化的生物活性而闻名.
- 醇环是药理活性化合物中常见的支架.
- 开发新的细胞毒剂对于癌症治疗至关重要.
研究的目的:
- 设计,合成和评估新型硫胺衍生物 (M3,M4,M5) 的细胞毒性活性.
- 通过分子对接来研究这些化合物的结合亲和力.
- 评估它们作为抗癌剂的潜力.
主要方法:
- 使用硫胺,乙化,尿素,甲衍生物和银酸盐合成 thiazole-sulfanilamide 衍生物.
- 用分子操作环境 (MOE) 软件进行的分子对接研究.
- 使用MTT测定对癌细胞系进行评估的细胞毒性活性.
主要成果:
- 合成的M3,M4和M5化合物显著降低了癌细胞活力.
- 化合物M5对MCF-7细胞的IC50为18.53μg/ml,与西斯相似.
- 化合物M3和M4的S分数高于乙胺,表明增强的受体结合亲和力.
- thiazole 环的结合增加了化合物的灵活性和受体结合.
- 金属复合物的含有进一步增强了这些化合物的抗扩散作用.
结论:
- 这种新型的醇-硫胺衍生物对癌细胞具有显著的细胞毒性潜力.
- 化合物M5是作为抗癌药物进一步开发的有希望的候选药物.
- 分子对接和生物测试在识别有力的候选药物方面是有效的.
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