Optibrium and Digital Chemistry, providers of software and database solutions for drug discovery, have announced an agreement to collaborate on the integration of Digital Chemistry’s Bioster database of precedented bioisostere replacements with Optibrium’s StarDrop software suite. This combination will allow drug discovery teams to quickly identify novel, high-quality compounds based on the Bioster molecular transformations and prioritise these within StarDrop’s intuitive environment that guides the design and selection of compounds with an optimal balance of properties.
The Bioster database contains more than 25,000 bioisostere replacements, hand-curated from the literature by Dr István Ujváry and is distributed exclusively by Digital Chemistry. As part of the collaboration with Optibrium, the database will be converted into transformations that can be applied in StarDrop’s Nova module, which automatically generates new, chemically-relevant compound structures to stimulate the search for high-quality chemistry related to initial hit or lead compounds.
The combined functionality of Nova and Bioster will allow for the application of this comprehensive database of precedented bioisostere replacements to generate novel structures with a high likelihood of biological activity and synthetic accessibility. StarDrop’s capabilities for multi-parameter optimisation and predictive modelling will allow efficient prioritisation of the resulting compound ideas to identify those with the best chance of achieving the property profile required for a successful drug.
The results of this collaboration will be available in a future version of StarDrop, expected to be released during 2013.