AurSCOPE and AurQUEST
Reviewed by Susan Boyd
Aureus Pharma, headquartered in Paris, was founded in 2000. The company designs and develops a novel integrated knowledge management platform, which combines a web-based querying system with experimental assay data and chemical data mined from the scientific literature.
Aureus offers several high value knowledge bases (AurSCOPE) of chemical and biological data, including quantitative activity data on GPCR ligands, kinase ligands, drug-drug interactions (mostly cyp450), ion channel ligands, and hERG.
Users can integrate their own custom data into these datasets if required via an additional product, AurSTORE. Data has been analysed from both scientific journals and patents, and includes full chemical structure, in vitro and in vivo biological data and structure-activity relationships.
The AurQUEST web-based software can be used to query the datasets and export relevant chemical or biological data into SDF or MDL ISIS database format. Searching can be performed by chemical structure search (exact match, similarity search or substructure) or by text-searching biological data for specific target, potency or selectivity profiles. An attractive feature of AurQUEST is the ability to combine both chemical and biological searching into a single query.
Access to such data can enable medicinal chemists to make informed decisions on synthesis candidate selection and biologists to prioritise between specific targets of interest. It also allows computational chemists to gain access to high quality, relevant data as a starting point for molecular modelling or chemoinformatics analyses.
The AurSCOPE datasets are updated twice a year and full training in the use of AurQUEST is provided by Aureus.
For further details contact Aureus at firstname.lastname@example.org