Focused On-demand Library for Tyrosine-protein kinase SYK

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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
P43405

UPID:
KSYK_HUMAN

ALTERNATIVE NAMES:
Spleen tyrosine kinase; p72-Syk

ALTERNATIVE UPACC:
P43405

BACKGROUND:
The Tyrosine-protein kinase SYK, known alternatively as spleen tyrosine kinase or p72-Syk, is integral to signal transduction pathways that regulate immunity, cell adhesion, and vascular development. It functions downstream of various receptors, facilitating B-cell maturation, platelet activation, and the immune defense against pathogens. Its activation triggers multiple signaling cascades, underscoring its essential role in cellular communication and defense mechanisms.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Tyrosine-protein kinase SYK could open doors to potential therapeutic strategies. Its direct involvement in Immunodeficiency 82 with systemic inflammation, characterized by severe multi-organ inflammation and a heightened risk of lymphoma, highlights its therapeutic potential. Targeting SYK could lead to innovative treatments for a range of immune-related disorders.

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