CrystalsFirst

Screening technologies

Rapid Access to Structural Data of New Chemical Matter

Our focus is on unlocking chemical matter and providing rapid access to structural data. Our hit identification strategies offer invaluable insights into the interactions between your target protein and small molecules. By combining our expertise in structural biology with advanced screening technologies, we can help you identify potential leads with high binding affinity, selectivity, and drug-like properties.

Accelerated Drug Discovery Campaigns

With our comprehensive suite of hit identification strategies, we are committed to accelerating your drug discovery efforts. Our dedicated team of experts will work closely with you to design and execute customized screening campaigns tailored to your specific needs. We provide end-to-end support, from library design and screening to hit validation and structural elucidation.

SmartSoak® Screening - Solving two challenges in parallel

Despite accumulating large collections of compounds and screening millions of molecules, the industry struggles to unlock chemical matter. Biologically validated targets with high therapeutic potential are deemed as “undruggable”. 

Access to structural data for low affinity or low solubility compounds requires robust X-ray crystallography and high-performance soaking systems. Setting up soaking systems is time consuming and the industry standard is an unsystematic trial-and-error approach. 

Our proprietary technology SmartSoak® provides access to high-performance soaking systems up to 10X faster in crystallography compared to the industry standard. The resulting soaking systems can be used for exploiting binding hotspots and co-structure determination. SmartSoak®-enabled crystallographic screens deliver hit rates up to 30 % and can be used for covalent and non-covalent binders. 

The technology is independent from the nature of the protein and has been successfully applied for over 40 different protein targets.

As specialists in unlocking chemical matter and providing rapid access to structural data, we also offer complementary screening approaches for hit identification, which are compatible with our platform.

NMR

Nuclear Magnetic Resonance (NMR) is a versatile and widely-used technique for fragment screening. With our expertise in NMR spectroscopy, we can identify and validate hits based on their binding affinity, binding mode, and interaction dynamics. NMR-based fragment screening provides detailed structural information, enabling you to make informed decisions during lead optimization.

DNA-Encoded Libraries

DNA-encoded libraries offer an innovative and high-throughput approach for hit identification. By encoding small molecules with DNA tags, we can screen vast libraries containing millions of compounds in a single experiment. This approach allows for efficient identification of hits with diverse chemical scaffolds, providing a rich source of starting points for lead development.

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