AurSCOPE® Protease Database
Genes encoding known proteolytic enzymes constitute about 2% of the human genome (550 proteases), and are abundant at similar levels in the genomes of other organisms. In multicellular organisms proteases play essential roles in every aspect of cell biology, and every function of the organism. Human pathologies resulting from protease disorders include diseases cancer, dementia, stroke, periodontitis and arthritis.
AurSCOPE® Protease is the Aureus Pharma knowledge base containing proteases, modulators-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 Protease 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)
Includes proteases from human, parasites, virus or other species
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 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® Protease Uses - See Example
Medicinal chemists, cheminformaticians, pharmacologists and biologists can:
Retrieve ligands tested as inhibitor or activator of a protease
Retrieve selective molecules for a specific protease vs. another protease
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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