AurSCOPE® NHR Nuclear Receptor Database
Nuclear receptors form a family of ligand-activated transcription factors that regulate a wide variety of biological processes and are thus considered relevant targets in drug discovery. Indeed, many of the nuclear receptors are activated through binding of ligands which are small lipophilic compounds, accessible to drug targeting.
All chemical and bioactivity data are organized in an Oracle database according to the Aureus AurSCOPE® relational data model.
AurSCOPE® NHR 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 Nuclear Receptor families (from NR0 to NR6) including classical receptors like the steroid receptors, as well as recently deorphanized receptors (HNF-4alpha, ROR-alpha…)
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® Nuclear Receptor Uses - See Example
Medicinal chemists, cheminformaticians, pharmacologists and biologists can:
Retrieve ligands tested as agonist, antagonist or inverse agonist
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 records 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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