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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 Hexdiagram

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

  • 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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