AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tyrosine-protein kinase SYK

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P43405

UPID:

KSYK_HUMAN

Alternative names:

Spleen tyrosine kinase; p72-Syk

Alternative UPACC:

P43405

Background:

Tyrosine-protein kinase SYK, also known as spleen tyrosine kinase and p72-Syk, plays a pivotal role in immune response regulation. It mediates signal transduction from various transmembrane receptors, influencing innate and adaptive immunity, cell adhesion, and vascular development. SYK's activation is crucial for B-cell maturation, T-cell receptor signaling, and the innate immune response to pathogens, highlighting its broad impact on cellular functions.

Therapeutic significance:

Given its involvement in Immunodeficiency 82 with systemic inflammation, a disorder marked by recurrent infections and multi-organ inflammation, targeting SYK offers a promising therapeutic strategy. Its role in immune response modulation and disease pathogenesis underscores the potential for SYK inhibitors in treating inflammatory and autoimmune diseases.

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