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Cresset Discovery Services Provides Computer-Aided Drug Design to Medicines for Malaria Venture

publication date: Mar 11, 2016
author/source: Cresset BioMolecular Discovery Ltd

Cresset Discovery Services, provider of contract research services for early phase discovery, and Medicines for Malaria Venture (MMV), have entered into a collaborative agreement to use computer-aided drug discovery to identify back-up compounds for a recently discovered molecule in MMV’s portfolio.

/custom/Putative binding site for the proposed target molecule.png“Cresset Discovery Services offer expertise in computational chemistry,” says Dr James Duffy, Associate Director, Drug Discovery, MMV. “We look forward to working with them to identify a back-up compound for one of our promising projects.”

“Our experts in computational biology and computational chemistry are ideally placed to solve high impact problems in drug discovery such as the identification of back-up compounds,” says Dr David Bardsley, Commercial Director and Head of Cresset Discovery Services. “We’re delighted to be working in the fight against malaria.”

“The Cresset Discovery Services method is one of the most cost effective ways of providing a back-up series and represents an essential ‘insurance policy’ against late stage drug discovery failure,” explains Dr Martin Slater, Director of Cresset Discovery Services. “We will use the Forge molecular modeling software and the available SAR to deduce the most likely bioactive conformation of a recently discovered anti-malarial compound in MMV’s portfolio. The most representative active conformer will be used in a Blaze virtual screen against a database of several million available compounds. From the output of the screen we will select the chemotypes that have the highest probability of showing a similar activity to the target. The results will be diverse chemotypes that are suitable candidates for back-up compounds.” 

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