Cresset, an in silico solutions provider for drug discovery, has extended its collaboration with Enamine.
Cresset and the chemical and biological CRO are looking to develop targeted protein degraders (TPDs), which can be used to develop therapeutic interventions for a number of diseases.
A major class of these protein degraders are proteolysis-targeting chimeras (PROTACs), which can be highly challenging to optimise for use as degraders owing to their physicochemical and ADME properties.
Enamine's TPD linkers to feature on Spark
Enamine has synthesised a library of 5,400 TPD-related linkers, while the company has also developed another 13,000 linkers to be available through quick synthesis.
The Enamine Linker Library was also incorporated into Cresset’s Spark, a bioisostere replacement tool used for hit and lead optimisation.
Integration of the new Enamine TPD-related Linker Library in Spark enables searching for known degrader linkers, which are usually larger and more flexible than typical fragments found in existing libraries. Early experiments show very promising results, suggesting these libraries could be key in designing heterobifunctional molecule linkers.
Enamine’s Executive Vice President, Dr Vladimir Ivanov, commented: We are happy to continue our productive collaboration with Cresset. Furthermore, providing streamlined access to Enamine TPD-related Linker Library in Spark gives our joined customers a great solution for bioisosteric replacement and scaffold hopping. Moreover, finding analogs to the linkers of interest is available via Enamine MADE building blocks, deliverable within 4-6 weeks, and via Enamine contract chemistry services.
Cresset’s Chief Scientific Officer, Dr Mark Mackey, commented, The addition of these linker libraries will expand the utility of Spark to an even wider set of small molecule drug discovery programmes. We are excited to continue working with Enamine to help our customers advance their projects by designing the best molecules they can.
The two companies will also run a collaborative webinar in September, with more details on this being announced in due course.