SARfari  is a fully integrated data repository and research workbench focused on key drug target families.  This powerful, easy-to-use tool combines chemical and biological data from proprietary and public sources in a single, dynamic system.

 

SARfari  is designed to:

• Improve productivity by effectively integrating and mapping biological and chemical data

• Enhance knowledge discovery through single sweep querying of diverse data sources

• Provide a unique view on the target area by explicitly mapping public data with internal proprietary knowledge

• Offer a robust pharmaceutical data mining resource

• Simplify internal system development and costs

 

SARfari  enables:

• Design of compounds and focused libraries against specific targets

• Rapid compound optimization and exploration of SAR

• Mapping of selectivity/cross-reactivity profiles

• Identification of critical counter screens

• Understanding structural recognition of ligands

 

Data within SARfari  are:

• Based on highly curated chemical and biological data extracted from BioFocus DPI’s StARLITe, DrugStore, CandiStore and StruDLE databases

• Expanded with extensive target family specific annotation

• Regularly amended via the system’s update engine

• Integrated via customized data loaders capable of loading proprietary compound, screening, structure and internal reference data

• Expandable to enable loading of any third party chemical and biological data

 

SARfari  system components include:

• Oracle database equipped with chemical cartridge for compound handling

• Web-based user interface

• Local administrator suite, which contains:

        • customized data loaders for internal data

        • data administration tools

        • public data update engine

        • documentation and guides to enable data mining and integration with internal systems

 

Kinase SARfari

Kinase SARfari  is a discovery workbench that focuses on the protein kinase family of drug targets.  The system provides the ability to perform single sweep queries of highly curated public data and internal proprietary data simultaneously.  Furthermore, biology and chemistry are intrinsically linked through the SARfari  infrastructure.

 

Kinase SARfari  facilitates:

• Retrieval of single page target reports summarizing target annotation, approved drugs, screened compounds and screening history from both public and internal data sources

• Retrieval of single compound reports summarizing compound properties and screening profile

• Identification of compound bioactivity and selectivity profiles using public data, internal data or both

• Mapping of kinase cross-reactivity profiles based on shared compound activities

• Sophisticated target or compound searches and bioactivity filtering

• Identification of selectivity screens

 

 

Contains highly curated public data:

• Every human protein kinase sequence and a large collection of model organism orthologs

• Protein kinase clinical candidates and FDA approved drugs

• More than 1,000 3D structures complete with all-by-all superposition

• Almost 17,000 protein kinase compounds

• More than 71,000 SAR, screening and ADMET data points from BioFocus DPI’s StARLITe database

• Five binding site definitions based on empirical analysis of ligand-binding footprints with all-by-all pre-calculated binding site physicochemical distances

 

GPCR SARfari

GPCR SARfari  is a discovery workbench encompassing all human rhodopsin-like non-olfactory GPCRs.  The system provides the ability to perform single sweep queries of highly curated public data and internal proprietary data simultaneously.  Furthermore, biology and chemistry are intrinsically linked through the SARfari  infrastructure.

 

GPCR SARfari  facilitates: 

• Retrieval of single page target reports summarizing target annotation, approved drugs, screened compounds and screening history from public and internal data sources

• Retrieval of single compound reports summarizing compound properties and screening profile

• Identification of compound bioactivity and selectivity profiles using public data, internal data or both

• De-orphanization of GPCRs through the identification of potential ligands for unassigned receptors

• Sophisticated target or compound searches and bioactivity filtering

• Prediction of compound selectivity issues

• Identification of GPCR counter screens based on binding site and/or ligand similarities

 

 

Contains highly curated public data:

 

Targets

• Full complement of 297 human Class 1 non-olfactory GPCRs

• Comprehensive names, synonyms and targets for FDA approved drugs

• Classified into a hierarchical, ligand-based classification scheme

• Searchable amino-acid sequences

• Highly curated multiple alignment

 

Compounds (with searchable 2D structures)

• More than 77,000 bioactive GPCR-focused compounds abstracted from the literature

• Natural ligands, with 2D structures for small molecule ligands and amino-acid sequences for peptide/protein ligands

 

SAR and screening data

• More than 300,000 experimental end points abstracted from medicinal chemistry literature

• More than 38,000 compounds independently screened against multiple receptors

 

Selectivity/de-orphanization analysis tools

• Six different binding site views, from broad to focused definitions for all 297 GPCRs, enabling comparison and clustering based on binding site properties

• Pre-calculated site profiles for each GPCR using almost 500 physicochemical descriptors

 

Customization

Your company’s internal data is fully integrated into SARfari, so that you only have to query one database.  This is possible through the local administrator suite, which contains customized data loaders and a house-keeping interface. 

Contact

To learn more about Kinase and GPCR SARfari, contact contact us.

 

 

 

BioFocus^®, StARLITe™ and SARfari™ are trademarks of Galapagos NV and/or its affiliates.