Optibrium, a developer of software for drug discovery, has announced a collaboration to provide StarDrop users with easy access to EnamineStore, a database of their commercially available screening compounds and chemical building blocks.
StarDrop has been developed to connect seamlessly with a wide variety of internal and external informatics systems and this latest partnership further extends the wealth of information available to users through StarDrop and its capabilities for small molecule design, optimisation and data analysis in drug discovery.
StarDrop provides free access to the Enamine database to easily search for commercially available compounds and building blocks. Enamine has over 3.3 million screening compounds and a further library of 7.8 million building blocks available to order from EnamineStore. The link enables users not only to search for specific compounds, but also find those that are structurally similar to their most interesting hits and leads or contain relevant substructures. This provides an invaluable tool for researchers to quickly enrich the understanding of their chemical structure-activity relationships.
Users can apply all of StarDrop’s functionality to the compounds returned from Enamine, including in silico predictive models and multi-parameter optimisation, guiding the identification of objective-driven, high quality compounds. The extended services are particularly relevant to the latest platform version, StarDrop 6.5, which includes a novel R-group clipping feature, enabling researchers to easily use the building blocks returned in the enumeration of virtual libraries to explore new compound ideas. Associated information, such as stock and cost for each building block, are linked with the enumerated compounds to facilitate ordering for synthesis of the best compounds.
Dr Matthew Segall, Optibrium’s CEO, commented: ‘This partnership with Enamine reflects our collaborative approach to working with leading providers of technology and services for drug discovery and other chemistry fields. With StarDrop’s latest capabilities, and seamless connection to additional informatics systems, our customers have all the information they need at their fingertips to make the best decisions for their discovery projects.’
Michael Bossert, Head of Strategic Alliances at Enamine, said: ‘Enamine has become a world leading provider of screening compounds and building blocks driven by a rapidly increasing demand for novel chemical compounds for the discovery of new and more effective drugs. We are excited to be working with Optibrium to provide StarDrop customers with the widest source of publicly available chemistry data.’
