Focused On-demand Library for Fibroblast growth factor receptor 3

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P22607

UPID:
FGFR3_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P22607; D3DVP9; D3DVQ0; Q14308; Q16294; Q16608; Q59FL9

BACKGROUND:
The Fibroblast growth factor receptor 3 (FGFR3) serves as a cell-surface receptor for fibroblast growth factors, essential for normal bone development and cell survival mechanisms. It regulates apoptosis in chondrocytes and promotes cancer cell proliferation, highlighting its dual role in human health and disease. FGFR3's activation triggers multiple signaling pathways, including MAPK and AKT1, crucial for cellular responses.

THERAPEUTIC SIGNIFICANCE:
FGFR3's mutation-induced aberrant signaling is implicated in various diseases, from skeletal abnormalities such as Hypochondroplasia to cancers like multiple myeloma. The protein's comprehensive understanding could lead to groundbreaking therapeutic interventions, leveraging its central role in cell growth and differentiation pathways. Targeted therapies against FGFR3-related pathways hold the potential to revolutionize treatment paradigms for both genetic disorders and cancer.

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