Fragment Screening - XChem

XChem: X-ray structure-accelerated, synthesis-aligned fragment medicinal chemistry

Fragment-based lead discovery is a drug discovery process that has revolutionised the pharmaceutical industry, providing valuable and cost-effective insights for rational drug design in the early stages. Rather than focusing on a few large complex compounds, it explores a larger part of the existing chemical space from the drug targets of interest, providing new entry routes for the development of lead compounds.

Here at Diamond, our world-class facilities provide a streamlined, secure and effective route to fragment screening. With the co-location of the XChem laboratory and the I04-1 beamline, we can significantly reduce the time to structural determination. Our unique processes, tailored software, and automated systems enable us to record and track your data seamlessly from initial crystal cultivation through to data analysis. Throughout your research, our expert scientists are on hand to advise, train and support you in every step of your journey.

Fragment Screening via X-ray crystallography 

• High resolution, robust and reliable results
• Direct structural feedback of the ligand-target interaction at atomic level
• Fragment validation, to enable quick progression through the research pipeline
• Hit rates of between 3-10%
• Fast and cost effective structural determination 

XChem at Diamond 

• Cost-effective access to innovative (first of its kind) facilities
• Co-location of lab and beamline speeding up time to results
• Optimised processes and automation for screening up to 700 compounds a day
• Secure sample tracking and data management
• Readily available libraries of compounds 
• Support and on-the-job training from XChem experts

• isolate new chemical information at the binding site of interest for drug targets
• quickly develop follow-up compounds with high affinity against the target of interest