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AurSCOPE® Ion Channel Database
In the search for new drugs, ion channels are a frequent target. Its modulators are currently used for the treatment of several diseases. Physiologically, ion channels are key components in processes involving rapid cell changes.
AurSCOPE® Ion Channel is the Aureus Pharma knowledge base containing voltage and ligand-gated ion channels, ligand-relevant chemical information associated with quantitative biological activities and mechanisms of action.
All chemical and bioactivity data are organized in Oracle according to the AurSCOPE® relational data model. AurSCOPE® Ion Channel is deployable through the Aureus online web portal AurWEB® or in-house as an enterprise solution.
Main Features
Structure-activity data culled from international scientific journals and patents (US, Euro & international)
All ion channel targets: voltage-gated, ligand-gated channels and other 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
Protein Target Information
Hierarchically organized ion channel target by names, acronyms and synonyms
Target descriptions including species, action site and transfection method
Channel subunit composition and stoechiometry as appropriate
Links to Uniprot (SwissProt), GenBank and Protein Data Bank (PDB) where available
Mutated targets described with mutation details
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AurSCOPE® Ion Channel Uses - See Example
Medicinal chemists, cheminformaticians, pharmacologists and biologists use the knowledge base to:
Retrieve ligands tested as blockers, openers or activators of an ion channel
Retrieve selective molecules for a specific ion channel 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 records via text and numeric queries (biological activity and biological data field searches)
xport data to SD files, .txt and .xls formats
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