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GPCR ontology: development and application of a G protein-coupled receptor pharmacology knowledge framework

机译:GPCR本体论:G蛋白偶联受体药理知识框架的开发与应用

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摘要

>Motivation: Novel tools need to be developed to help scientists analyze large amounts of available screening data with the goal to identify entry points for the development of novel chemical probes and drugs. As the largest class of drug targets, G protein-coupled receptors (GPCRs) remain of particular interest and are pursued by numerous academic and industrial research projects.>Results: We report the first GPCR ontology to facilitate integration and aggregation of GPCR-targeting drugs and demonstrate its application to classify and analyze a large subset of the PubChem database. The GPCR ontology, based on previously reported BioAssay Ontology, depicts available pharmacological, biochemical and physiological profiles of GPCRs and their ligands. The novelty of the GPCR ontology lies in the use of diverse experimental datasets linked by a model to formally define these concepts. Using a reasoning system, GPCR ontology offers potential for knowledge-based classification of individuals (such as small molecules) as a function of the data.>Availability: The GPCR ontology is available at and the National Center for Biomedical Ontologies Web site.>Contact: >Supplementary information: are available at Bioinformatics online.
机译:>动机:需要开发新颖的工具来帮助科学家分析大量可用的筛查数据,以期确定开发新型化学探针和药物的切入点。作为最大的药物靶标,G蛋白偶联受体(GPCR)仍然受到特别关注,并受到众多学术和工业研究项目的追捧。>结果:我们报告了第一个GPCR本体论,以促进整合和GPCR靶向药物的聚合,并证明了其在分类和分析PubChem数据库的较大子集中的应用。基于先前报道的BioAssay本体论的GPCR本体论描述了GPCR及其配体的可用药理,生物化学和生理学特征。 GPCR本体的新颖性在于使用由模型链接的各种实验数据集来正式定义这些概念。通过使用推理系统,GPCR本体提供了根据数据对个人(例如小分子)进行基于知识的分类的潜力。>可用性: GPCR本体可从国家生物医学中心获得。本体论网站。>联系方式: >补充信息:可从Bioinformatics在线获得。

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