对抗细菌感染的药物的重新用途:基于药物监测的数据挖掘方法
Simran Ohra1, Ruchika Sharma2, Anoop Kumar1,3
1Department of Clinical Research, Delhi Pharmaceutical Sciences and Research University (DPSRU), New Delhi, India.
Drug development research
|May 29, 2024
概括
这项研究使用药物监测和分子对接重新定位了针对细菌感染的现有药物. 六种药物,包括lisinopril和atorvastatin,显示出对优先病原体的潜在抗菌活性.
科学领域:
- 药理学 药理学是指药理学的学科.
- 微生物学 微生物学
- 药物发现 药物发现 药物发现
背景情况:
- 世界卫生组织 (WHO) 确定了需要紧急开发抗生素的优先病原体.
- 抗生素耐药性需要新的治疗策略,包括药物重用.
研究的目的:
- 确定现有的市场药物,这些药物可以用于治疗细菌感染.
- 通过计算方法评估已识别的药物的抗菌潜力.
主要方法:
- 通过OpenVigil 2.1.使用FDA不良事件报告系统 (FAERS) 的药物监测方法.
- 根据报告几率比率 (ROR) 和病例数量来过药物.
- 使用施罗丁格软件进行分子对接和动力学模拟,以评估药物向相互作用.
主要成果:
- 通过药物监测确定了40种具有潜在抗菌活性的药物.
- 分子对接揭示了几种药物对抗细菌点的有利结合形状.
- 分子动力学证实了大多数已识别的药物的稳定性在细菌向活性部位.
结论:
- 利西诺普里尔,奥尔梅萨坦,阿托瓦斯塔丁,罗西格利塔,瓦伦尼克林和瓦尔萨坦被确定为对抗细菌感染的药物重定位的有希望的候选人.
- 这项研究强调了现有药物对抗抗生素耐药性日益增长的威胁的潜力.
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