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InhibOx, CCDC Partner on Computational Drug Discovery Services


InhibOx, an Oxford, UK-based drug discovery service provider, said last week that it is teaming up with the non-profit Cambridge Crystallographic Data Centre in order to offer computer-aided drug discovery services.

The partners said they plan to offer customers a range of computational drug design services, including receptor site modeling, lead identification, lead optimization, ADME property prediction, and formulation modeling.

CCDC maintains the Cambridge Structural Database, which contains more than 500,000 small-molecule crystal structures. It has also developed a suite of computational tools to support receptor modeling, ligand design, docking, lead optimization, and formulation studies.

InhibOx was founded in 2001 and offers the Scopius database of drug candidate molecules, which includes data on multiple-conformation 3D structures, shape and charge descriptors, physical and ADME properties, and information on commercial availability. The company has also developed technologies to support target- and ligand-based lead identification, fragment-based de novo design methods, and formulation modeling.

Under the terms of the partnership, InhibOx and CCDC have set up a joint team to commercialize and support the new service and will share operating expenses and revenues. Sales and service operations for the combined service will be in Oxford and Cambridge, UK, and Princeton, NJ.

The two organizations also plan to collaborate on the development of new computer-aided drug discovery methods.

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