The Institute of Cancer Research and Enamine Ltd. have announced a new research collaboration aimed at broadening the tools available for researchers working in fragment-based drug discovery (FBDD).
As part of the joint initiative, Enamine will supply a set of fluorinated fragment compounds to the ICR, carefully selected from its extensive in-stock collection and the Enamine ‘REAL Space’ of made-to-order compounds.
The new collaboration builds on previous joint research between the ICR and Enamine to design a carboxylic acid bioisostere fragment library.
Over the coming months, researchers at the ICR’s Centre for Cancer Drug Discovery will profile these compounds using in-house analytical tools, including proton and fluorine nuclear magnetic resonance (NMR) spectroscopy, liquid chromatography-high resolution mass spectrometry (LC-HRMS), and solubility testing.
The annotated compounds will then be screened against a panel of protein targets, helping to assess their potential value in fragment-based screening campaigns.
Fragment-based drug discovery
The ICR is a pioneer in fragment-based drug discovery, which involves the creation of very small molecules that can fit into pockets on the surface of proteins of interest, such as those that drive cancer.
Medicinal chemists then build on these fragments to create larger molecules that block the action of their target protein – and that through further iteration can become cancer drugs.
Enamine is a leading global provider of screening compounds, chemical building blocks, and drug discovery services.
Once testing is complete, Enamine will use the results to refine and commercialize new fragment libraries, making them available through its global distribution network. The ICR will have the priority right to explore the findings and will work with Enamine to publish joint results in peer-reviewed journals.
The project is expected to run for 12 months, with the option to extend. Both teams will contribute to a final research report, and future communications will highlight key takeaways for the scientific and drug discovery communities.
The ICR’s Centre for Cancer Drug Discovery is a world-leading academic centre for drug discovery in oncology, having discovered 21 drug candidates since 2005 in collaboration with commercial partners of which 13 have reached clinical trials.
Professor Swen Hoelder, Director of Chemistry at The Institute of Cancer Research, London, said:
“This exciting new collaboration is a great opportunity to combine our research capabilities and expertise in fragment-based drug discovery with Enamine’s compound expertise. This focused, practical project aims to produce a well-characterized set of fluorinated fragments that can accelerate early-stage drug discovery for researchers worldwide, and that we hope will ultimately lead to the discovery of new drugs that benefit cancer patients.”
Andrey Tarnovskiy, Enamine’s Sales Director, Europe, said:
“Following our productive collaboration with the ICR on the design of Carboxylic Acid Bioisostere Fragment Library, we’re excited to join efforts once again to develop a novel fragment library tailored for fluorine-based NMR screening. This project reflects our shared commitment to expanding the FBDD toolbox with innovative and chemically diverse starting points.”