三醇的合成,抗微生物和抗氧化活性,含醇衍生物的pyrazole和COVID-19的分子对接研究
Raghavender Matta1, Jalapathi Pochampally2, Bala Narsimha Dhoddi1
1Department of Chemistry, Osmania University, Hyderabad, 500007, India.
BMC chemistry
|June 17, 2023
概括
新的三zole和pyrazole化合物与 thiazole类似物显示出显著的抗微生物和抗氧化活性. 分子对接表明,它们有可能作为对抗细菌毒素酶IV和SARS-CoV-2的抑制剂.
科学领域:
- 药用化学 医学化学
- 有机合成 有机合成
- 抗菌研究 抗菌研究
背景情况:
- 酸和酸的支架被认为具有多种生物活动.
- 醇衍生物是许多制药剂中不可分割的组成部分.
- 开发新型抗微生物和抗病毒药物仍然是全球卫生优先事项.
研究的目的:
- 合成和表征新的生物活性三醇和皮拉醇化合物,其中包括2,4-非替代的提亚醇部分.
- 评估合成的化合物对于体外抗微生物和抗氧化活性.
- 通过分子对接,研究这些化合物的潜力作为细菌拓酶IV和SARS-CoV-2的抑制剂.
主要方法:
- 从p-基甲和甲中合成目标化合物 (12a-l).
- 使用光谱数据进行结构阐明 (IR,1H-NMR,1C-NMR,HRMS).
- 在体外抗菌活性测试 (MIC确定),DPPH自由基清除试验和分子对接研究.
主要成果:
- 化合物12a-l在优异的产量和纯度下进行了合成.
- 化合物12e,12f和12k表现出强烈的抗菌活性,MIC值低至4.0μg/ml.
- 化合物表现出显著的抗氧化特性和与托波色酶IV和SARS-CoV-2主要蛋白酶的显著结合亲和关系.
结论:
- 合成的提亚类型具有有前途的抗微生物和抗氧化特性.
- 分子对接研究表明,它们可能是Gram-阳性细菌毒素酶IV和SARS-CoV-2的有效抑制剂.
- 这些新型混合化合物代表了开发新的抗微生物和抗病毒药物候选物的有价值的起点.
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