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

Magdalena J. Przydzial, Barun Bhhatarai, Amar Koleti, Uma Vempati, Stephan C Schuerer

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

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. 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. The GPCR ontology is available at http://www.bioassayontology.org/bao_gpcr and the National Center for Biomedical Ontologies Web site.

Original languageEnglish
Pages (from-to)3211-3219
Number of pages9
JournalBioinformatics (Oxford, England)
Volume29
Issue number24
StatePublished - Dec 15 2013

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Pharmacology
G Protein
G-Protein-Coupled Receptors
Receptor
Ontology
Proteins
Drugs
Biological Ontologies
Industrial research
Bioassay
Knowledge
Framework
Drug Delivery Systems
Knowledge-based
Biological Assay
Pharmaceutical Preparations
Screening
Websites
Aggregation
Probe

ASJC Scopus subject areas

  • Medicine(all)

Cite this

GPCR ontology : development and application of a G protein-coupled receptor pharmacology knowledge framework. / Przydzial, Magdalena J.; Bhhatarai, Barun; Koleti, Amar; Vempati, Uma; Schuerer, Stephan C.

In: Bioinformatics (Oxford, England), Vol. 29, No. 24, 15.12.2013, p. 3211-3219.

Research output: Contribution to journalArticle

Przydzial, Magdalena J. ; Bhhatarai, Barun ; Koleti, Amar ; Vempati, Uma ; Schuerer, Stephan C. / GPCR ontology : development and application of a G protein-coupled receptor pharmacology knowledge framework. In: Bioinformatics (Oxford, England). 2013 ; Vol. 29, No. 24. pp. 3211-3219.
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