GLASS: A comprehensive database for experimentally validated GPCR-ligand associations

Wallace K.B. Chan, Hongjiu Zhang, Jianyi Yang, Jeffrey R. Brender, Junguk Hur, Arzucan Ozgur, Yang Zhang

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

Motivation: 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. Results: 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.

Original languageEnglish (US)
Pages (from-to)3035-3042
Number of pages8
JournalBioinformatics
Volume31
Issue number18
DOIs
StatePublished - Jul 31 2015

Fingerprint

G Protein
G-Protein-Coupled Receptors
Receptor
Ligands
Databases
Proteins
Drug Discovery
Drugs
Secretin
Rhodopsin
Data Mining
Drug Industry
Membrane Protein
Data Association
Target
Bioactivity
Text Mining
Pharmaceutical Preparations
Computer Simulation
Shortage

ASJC Scopus subject areas

  • Statistics and Probability
  • Biochemistry
  • Molecular Biology
  • Computer Science Applications
  • Computational Theory and Mathematics
  • Computational Mathematics

Cite this

Chan, W. K. B., Zhang, H., Yang, J., Brender, J. R., Hur, J., Ozgur, A., & Zhang, Y. (2015). GLASS: A comprehensive database for experimentally validated GPCR-ligand associations. Bioinformatics, 31(18), 3035-3042. https://doi.org/10.1093/bioinformatics/btv302

GLASS : A comprehensive database for experimentally validated GPCR-ligand associations. / Chan, Wallace K.B.; Zhang, Hongjiu; Yang, Jianyi; Brender, Jeffrey R.; Hur, Junguk; Ozgur, Arzucan; Zhang, Yang.

In: Bioinformatics, Vol. 31, No. 18, 31.07.2015, p. 3035-3042.

Research output: Contribution to journalArticle

Chan, WKB, Zhang, H, Yang, J, Brender, JR, Hur, J, Ozgur, A & Zhang, Y 2015, 'GLASS: A comprehensive database for experimentally validated GPCR-ligand associations', Bioinformatics, vol. 31, no. 18, pp. 3035-3042. https://doi.org/10.1093/bioinformatics/btv302
Chan, Wallace K.B. ; Zhang, Hongjiu ; Yang, Jianyi ; Brender, Jeffrey R. ; Hur, Junguk ; Ozgur, Arzucan ; Zhang, Yang. / GLASS : A comprehensive database for experimentally validated GPCR-ligand associations. In: Bioinformatics. 2015 ; Vol. 31, No. 18. pp. 3035-3042.
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