{"title":"PharmaRedefine:针对病原菌重新设计药物用途的数据库服务器","authors":"Longxiao Yuan, Jingjing Guo","doi":"10.1016/j.ymeth.2024.05.011","DOIUrl":null,"url":null,"abstract":"<div><p>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 <span>http://guolab.mpu.edu.mo/pharmredefine</span><svg><path></path></svg>.</p></div>","PeriodicalId":390,"journal":{"name":"Methods","volume":"227 ","pages":"Pages 78-85"},"PeriodicalIF":4.2000,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"PharmaRedefine: A database server for repurposing drugs against pathogenic bacteria\",\"authors\":\"Longxiao Yuan, Jingjing Guo\",\"doi\":\"10.1016/j.ymeth.2024.05.011\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>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 <span>http://guolab.mpu.edu.mo/pharmredefine</span><svg><path></path></svg>.</p></div>\",\"PeriodicalId\":390,\"journal\":{\"name\":\"Methods\",\"volume\":\"227 \",\"pages\":\"Pages 78-85\"},\"PeriodicalIF\":4.2000,\"publicationDate\":\"2024-05-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Methods\",\"FirstCategoryId\":\"99\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1046202324001294\",\"RegionNum\":3,\"RegionCategory\":\"生物学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Methods","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1046202324001294","RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0
摘要
致病细菌对人类健康构成严重威胁,需要大量资源用于预防和治疗。随着人们对抗生素耐药性的担忧不断升级,迫切需要创新方法来对抗这些病原体。现有药物的再利用提供了一种前景广阔的解决方案。我们目前的研究假设,具有相似化学环境的配体结合口袋的蛋白质可能能够结合同一种药物。为了促进这种针对病原菌的药物再利用战略,我们引入了一个在线服务器 PharmaRedefine。利用序列和结构比对以及蛋白质口袋相似性分析的组合,该平台可以预测具有代表性的细菌中特定 FDA 批准药物的潜在靶点。这种新方法为药物的重新定位带来了巨大潜力,可有效对抗致病细菌引起的感染。PharmaRedefine 可在 http://guolab.mpu.edu.mo/pharmredefine 免费获取。
PharmaRedefine: A database server for repurposing drugs against pathogenic bacteria
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.
期刊介绍:
Methods focuses on rapidly developing techniques in the experimental biological and medical sciences.
Each topical issue, organized by a guest editor who is an expert in the area covered, consists solely of invited quality articles by specialist authors, many of them reviews. Issues are devoted to specific technical approaches with emphasis on clear detailed descriptions of protocols that allow them to be reproduced easily. The background information provided enables researchers to understand the principles underlying the methods; other helpful sections include comparisons of alternative methods giving the advantages and disadvantages of particular methods, guidance on avoiding potential pitfalls, and suggestions for troubleshooting.