重新调整用途
药物重新定位
致病菌
细菌
药品
计算生物学
药物发现
生物
生物信息学
药理学
遗传学
生态学
作者
Longxiao Yuan,Jingjing Guo
出处
期刊:Methods
[Elsevier BV]
日期:2024-07-01
卷期号:227: 78-85
被引量:1
标识
DOI:10.1016/j.ymeth.2024.05.011
摘要
Pathogenic bacteria represent a formidable threat to human health, necessitating substantial resources for prevention and treatment. With the escalating concern regarding antibiotic resistance, there is a pressing need for innovative approaches to combat these pathogens. Repurposing existing drugs offers a promising solution. Our present work hypothesizes that proteins harboring ligand-binding pockets with similar chemical environments may be able to bind the same drug. To facilitate this drug-repurposing strategy against pathogenic bacteria, we introduce an online server, PharmaRedefine. Leveraging a combination of sequence and structure alignment and protein pocket similarity analysis, this platform enables the prediction of potential targets in representative bacteria for specific FDA-approved drugs. This novel approach holds tremendous potential for drug repositioning that effectively combat infections caused by pathogenic bacteria. PharmaRedefine is freely available at http://guolab.mpu.edu.mo/pharmredefine.
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