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CrystalsFirst is joining the PROXIDRUGS consortium

CrystalsFirst is joining the PROXIDRUGS consortium

CrystalsFirst is thrilled to announce its joining of the PROXIDRUGS consortium, a groundbreaking initiative focused on developing innovative proximity-inducing drugs to target disease-causing proteins.

By joining PROXIDRUGS, CrystalsFirst aligns itself with a visionary project that spans the entire preclinical drug development pipeline. This collaboration promises to accelerate the translation of cutting-edge research into tangible therapeutic solutions, potentially transforming patient outcomes across multiple disease areas.

PROXIDRUGS is at the forefront of a revolutionary approach to drug discovery. This consortium brings together leading experts to create better therapies for a wide range of diseases, including cancer, inflammatory disorders, infectious diseases, and neurodegenerative conditions.

The core of PROXIDRUGS’ strategy lies in proximity-based pharmaceuticals, a novel class of drugs with the potential to degrade approximately 80% of disease-relevant proteins. This approach opens up new possibilities for treating conditions that have long eluded effective therapies.

We look forward to contributing our expertise to this consortium and working alongside academic and industry partners to push the boundaries of drug discovery. Together, we aim to unlock new paradigms in personalized medicine and address critical unmet medical needs.

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CrystalsFirst achieves a major company milestone: structurally-enabling more than 40 drug targets for design of therapeutics. 

CrystalsFirst achieves a major company milestone

structurally-enabling more than 40 drug targets for design of therapeutics.

CrystalsFirst’s MAGNET platform enables allosteric, covalent, non-covalent campaigns across a wide rage of ligand sizes from fragments, leads, drug candidates to peptides. 

Our experience with targets encompasses: 

  • Helicases
  • GTPases
  • Transcription factors
  • Kinases
  • E3 Ligases

and many others. 

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The SMARTSOAK® Advantage for E3 Ligases

THE SMARTSOAK® ADVANTAGE FOR E3 LIGASES

SmartSoak® provides significant advantages for hit identification of novel binders and recruiters for E3 ligases. 

    • Track record in the E3 ligase space
    • Ready to screen high-quality proteins for structural biology, e.g. VHL/VCB
    • Screening covalent and non-covalent libraries
    • Machine learning platform for fragment evolution
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Computational Modeling Drives Selectivity of CRL4 CRBN Recruiting Protacs

COMPUTATIONAL MODELING DRIVES SELECTIVITY OF CRL4 CRBN RECRUITING PROTACs

  • Selectivity is still a major challenge in the design of CRL4CRBN recruiting PROTACs. 
  • Prediction of key interactions mediating the formation of productive ternary complexes can overcome the selectivity issues. 
  • Using structural insights from known neo-substrates, degron blocking design principles, and computational modelling lead to an analogue with an improved selectivity profile. 
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CrystalsFirst announces its generative AI extension – FragAI -as part of the MAGNET platform. 

CrystalsFirst announces its generative AI extension - FragAI - as part of the MAGNET platform.

CrystalsFirst’s MAGNET platform overcomes current limitations of small molecule drug discovery. Our proprietary technology SmartSoak® detects molecular magnets and generative AI identifies novel molecules and druggable binding pockets. 

Applications and features of FragAI: 

  • Intellectual Property shield and protection
  • Ligand- and structure-based workflows
  • Fragment evolution for FBDD
  • Hit-to-lead and lead optimization tailoring the target product profile
  • Compatible with X-ray crystallography and CryoEM derived structures
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The SMARTSOAK® Advantage for Covalent Drug Discovery

THE SMARTSOAK® ADVANTAGE FOR COVALENT DRUG DISCOVERY

SmartSoak® provides significant advantages for covalent fragment-based drug discovery enabling rapid determination of co-structures for optimization: 

  • Conventional soaking fails to modify the cysteine in the active site
  • SmartSoak setup enables the covalent modification of cysteine
  • High resolution co-structure of human protein with novel MOA at 1.3 Å
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This year, we celebrate a significant achievement as CrystalsFirst reaches its 5th Anniversary! 

This year, we celebrate a significant achievement as CrystalsFirst reaches its 5th Anniversary!

For the past five years, CrystalsFirst has been leading the way in pushing the boundaries of structural biology and drug discovery. Our relentless dedication to innovation and outstanding performance has positioned us as a pivotal figure in the field of drug discovery, establishing groundbreaking benchmarks for drug discovery.

We are proud to report our remarkable achievements over the past five years:

  • integrated target-to-hit platform “putting structural data first”
  • unlocking chemical matter for difficult targets
  • solutions for covalent and non-covalent drug discovery
  • machine learning platform 
  • more to come…
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CRYSTALSFIRST and NEXMR Join Forces to Supercharge Fragment-Based Drug Discovery

CRYSTALSFIRST AND NEXMR JOIN FORCES TO SUPERCHARGE FRAGMENT-BASED DRUG DISCOVERY

24th July 2023 – CrystalsFirst GmbH, a leading provider of innovative crystallography solutions, and NexMR GmbH, a technology company specializing in high-performance Nuclear Magnetic Resonance (NMR), are thrilled to announce their strategic collaboration. This partnership aims to redefine the field of fragment-based drug discovery by combining CrystalsFirst’s expertise in crystallography and NexMR’s cutting-edge NMR, ultimately providing better solutions for drug discovery.

Fragment-based drug discovery is a powerful approach that enables the identification of high-quality lead compounds with improved drug-like properties. By utilizing small fragments of molecules, researchers can explore a vast chemical space and optimize the fragments to develop highly potent and selective drugs. However, the success of fragment-based drug discovery heavily relies on efficient fragment screening and accurate structural determination of the protein-fragment complexes.

CrystalsFirst has established itself as a pioneer in crystallography, offering leading technologies and services for protein crystallization and structure determination using its proprietary SmartSoak® technology. Their expertise in obtaining high-quality chemical matter has contributed to numerous breakthroughs in drug discovery projects. By partnering with NexMR, a company known for its innovative solutions in fragment screening, the collaboration will combine their respective strengths to tackle the challenges associated with fragment-based drug discovery.

NexMR’s advanced technologies enable rapid and efficient fragment screening, utilizing advanced nuclear magnetic resonance (NMR) techniques. Their unique platform allows for the identification and characterization of fragment hits, facilitating the selection of the most promising candidates for further development. By integrating NexMR’s fragment screening capabilities with CrystalsFirst’s expertise in protein crystallography, researchers will have access to a comprehensive suite of tools and services for fragment-based drug discovery campaigns.

“We are excited to partner with NexMR to enhance our capabilities in hit identification,” said Dr. Serghei Glinca, CEO of CrystalsFirst. “This collaboration allows us to provide our clients with a more holistic approach, combining cutting-edge fragment screening technologies with our world-class protein crystallography expertise. Together, we aim to accelerate the discovery of novel therapeutics.”

“We are delighted to join forces with CrystalsFirst,” added Dr. Félix Torres Hubiche, CEO of NexMR. “By integrating our fragment screening technologies with CrystalsFirst’s exceptional crystallography capabilities, we aim to deliver a streamlined and comprehensive solution for fragment-based drug discovery. This collaboration holds great promise in unlocking new chemical matter for the development of life-changing medicines.”

CrystalsFirst and NexMR are committed to driving innovation and advancing the field of fragment-based drug discovery. Through their collaboration, they aim to empower biopharmaceutical research worldwide with cutting-edge tools, expertise, and services that will accelerate the development of novel therapeutics for a wide range of diseases.

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Odyssey to Unlock Relevant Compounds

Chemical Space Docking: Odyssey to Unlock Relevant Compounds

Advances in technology have led to a major breakthrough in chemical space exploration. By combining computational and experimental methods, researchers are unlocking the full potential of structure-based drug discovery. One highly regarded approach is Chemical Space Docking, which plays a crucial role in finding promising drug candidates and valuable compounds within vast chemical space. This state-of-the-art method provides a fast and cost-effective way to identify the most relevant compounds, resulting in high hit rates and chemical diversity among hits. [1],[2]

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Thu, 26 Jan 2023, 16:00 CET
Dr. Serghei Glina, CEO CrystalsFirst GmbH & Alexander Neumann, BioSolveIT

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