Databases and ontologies GLASS: a comprehensive database for experimentally validated GPCR-ligand associations

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 textmining 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 rhodopsinand secretin-like receptors. The GLASS database should find its most useful application in various in silico GPCR screening and functional annotation studies. Availability and implementation: The website of GLASS database is freely available at http:// zhanglab.ccmb.med.umich.edu/GLASS/. Contact: [email protected] Supplementary information: Supplementary data are available at Bioinformatics online.