Combines methods for the design of new drug discovery compounds
Cresset and Optibrium, UK providers of software solutions for drug discovery, are to work together, combining software to help drug discovery projects identify novel, potent compounds with a high chance of success downstream.
The collaboration will involve a two-way exchange of technologies: Optibrium’s ADME models, currently provided as a plug-in module for its StarDrop software, will be made available to users of Cresset’s desktop applications, while Cresset’s FieldAlign software, which helps chemists understand the 3D structure-activity-relationship of their chemistry, will be made available as an optional plug-in module for StarDrop.
Welwyn Garden City based Cresset’s molecular field technology provides unique insight into the biological activity, properties and interactions of molecules, which enables biologically meaningful comparisons that are not limited by two-dimensional structure. Optibrium’s StarDrop platform helps to guide decisions on the design and selection of compounds by integrating in silico and experimentally measured properties using a multi-parameter optimisation approach, chemical space and Glowing Molecule visualisations and predictive modelling.
Matthew Segall, ceo of Cambridge-based Optibrium, said: ‘This collaboration furthers our aim to deliver leading edge in silico technologies directly to the desktop of all drug discovery scientists through StarDrop’s user friendly, interactive interface.
‘The new FieldAlign module in StarDrop will bring a powerful 3D view of compound interactions that will complement StarDrop’s existing 2D QSAR models.’
The technology shared under this collaboration will form new components in upcoming releases of Optibrium’s StarDrop and Cresset’s desktop applications. The firms say full details of these new developments will be announced shortly.