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GLASS: a comprehensive database for experimentally validated GPCR-ligand associations.


ABSTRACT: G protein-coupled receptors (GPCRs) are probably the most attractive drug target membrane proteins, which constitute nearly half of drug targets in the contemporary drug discovery industry. While the majority of drug discovery studies employ existing GPCR and ligand interactions to identify new compounds, there remains a shortage of specific databases with precisely annotated GPCR-ligand associations.We have developed a new database, GLASS, which aims to provide a comprehensive, manually curated resource for experimentally validated GPCR-ligand associations. A new text-mining algorithm was proposed to collect GPCR-ligand interactions from the biomedical literature, which is then crosschecked with five primary pharmacological datasets, to enhance the coverage and accuracy of GPCR-ligand association data identifications. A special architecture has been designed to allow users for making homologous ligand search with flexible bioactivity parameters. The current database contains ?500?000 unique entries, of which the vast majority stems from ligand associations with rhodopsin- and secretin-like receptors. The GLASS database should find its most useful application in various in silico GPCR screening and functional annotation studies.The website of GLASS database is freely available at http://zhanglab.ccmb.med.umich.edu/GLASS/.zhng@umich.eduSupplementary data are available at Bioinformatics online.

SUBMITTER: Chan WK 

PROVIDER: S-EPMC4668776 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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GLASS: a comprehensive database for experimentally validated GPCR-ligand associations.

Chan Wallace K B WK   Zhang Hongjiu H   Yang Jianyi J   Brender Jeffrey R JR   Hur Junguk J   Özgür Arzucan A   Zhang Yang Y  

Bioinformatics (Oxford, England) 20150513 18


<h4>Motivation</h4>G protein-coupled receptors (GPCRs) are probably the most attractive drug target membrane proteins, which constitute nearly half of drug targets in the contemporary drug discovery industry. While the majority of drug discovery studies employ existing GPCR and ligand interactions to identify new compounds, there remains a shortage of specific databases with precisely annotated GPCR-ligand associations.<h4>Results</h4>We have developed a new database, GLASS, which aims to provid  ...[more]

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