AurSCOPE® GPCR Database
G protein-coupled receptors (GPCRs) account for approximately one-third of all approved drugs. Whilst studied for years, the potential for additional drug discovery is still enormous. Future challenges include de-orphanization of candidate drug targets, and exploring the field of allosteric modulation.
The AurSCOPE® GPCR knowledge base contains structure-activity information for over 500 G protein-coupled receptors and isoforms, ligand-relevant chemical information associated with quantitative biological activities and mechanisms of action. All chemical and bioactivity data are organized in an Oracle database according to the Aureus AurSCOPE relational data model.
AurSCOPE® GPCR is deployable through the Aureus online web portal AurWEB® or in-house as an enterprise installation.
Main Features
Structure-activity data culled from international scientific journals and patents (US, Euro & international)
Contains all GPCR targets: well known receptors like monoamine family, as well as hot targets like deorphanized receptors or unconventional families
Detailed descriptions of the experimental methods and conditions used to generate activity data points
Data organized in relational tables according to: chemical information, protein target information, bioactivity and experimental methods
Chemical Information
Registered ligands always associated with at least one quantitative experimental biological data
Compound descriptions including structure, name, synonyms, pharmaceutical codes, therapeutic class, calculated physicochemical parameters and SMILES
Druggability assessments using graphical representation based on Lipinski/Weber rules
AurSCOPE® GPCR Uses - See Example
Medicinal chemists, cheminformaticians, pharmacologists and biologists can:
Retrieve ligands tested as agonist, antagonist or allosteric modulator
Retrieve selective molecules for a specific GPCR vs. another
Assess ligands’ mechanism of action, study structure activity relationships to guide compound optimization
Access in vitro and in vivo pharmacological activity data, materials and methods used
Search via text and numeric queries (biological activity and biological data field searches)
Export data to SD files, .txt and .xls formats
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