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Pathway Analysis for Drug Repositioning Based on PublicDatabase Mining

机译:基于公共场所的药品重定位路径分析数据库挖掘

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摘要

Sixteen FDA-approved drugs were investigated to elucidate their mechanisms of action (MOAs) and clinical functions by pathway analysis based on retrieved drug targets interacting with or affected by the investigated drugs. Protein and gene targets and associated pathways were obtained by data-mining of public databases including the MMDB, PubChem BioAssay, GEO DataSets, and the BioSystems databases. Entrez E-Utilities were applied, and in-house Ruby scripts were developed for data retrieval and pathway analysis to identify and evaluate relevant pathways common to the retrieved drug targets. Pathways pertinent to clinical uses or MOAs were obtained for most drugs. Interestingly, some drugs identified pathways responsible for other diseases than their current therapeutic uses, and these pathways were verified retrospectively by in vitro tests, in vivo tests, or clinical trials. The pathway enrichment analysis based on drug target information from public databases could provide a novel approach for elucidating drug MOAs and repositioning, therefore benefiting the discovery of new therapeutic treatments fordiseases.
机译:通过基于与被研究药物相互作用或受其影响的检索到的药物靶标的途径分析,对十六种FDA批准的药物进行了研究,以阐明其作用机理(MOA)和临床功能。通过公共数据库(包括MMDB,PubChem BioAssay,GEO DataSets和BioSystems数据库)的数据挖掘,可以获得蛋白质和基因靶标及相关途径。应用了Entrez E-Utilities,并开发了内部Ruby脚本进行数据检索和路径分析,以识别和评估与检索到的药物靶标相关的相关路径。大多数药物都获得了与临床用途或MOA相关的途径。有趣的是,某些药物确定了除当前治疗用途外还导致其他疾病的途径,并且通过体外试验,体内试验或临床试验对这些途径进行了回顾性验证。基于公共数据库中药物靶点信息的途径富集分析可以为阐明药物MOA和重新定位提供一种新颖的方法,因此有利于发现新的治疗方法疾病。

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