AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tyrosine-protein kinase RYK

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P34925

UPID:

RYK_HUMAN

Alternative names:

-

Alternative UPACC:

P34925; A0A087WUK1; A0A096LNL3; Q04696

Background:

Tyrosine-protein kinase RYK, identified by the accession number P34925, plays a pivotal role in neuronal development. It functions as a potential coreceptor with FZD8 for Wnt proteins, including WNT1, WNT3, WNT3A, and WNT5A. This protein is crucial for neuron differentiation, axon guidance, the establishment of the corpus callosum, and neurite outgrowth. Following WNT3 stimulation, a significant process of receptor C-terminal cleavage in its transmembrane region occurs, facilitating the translocation of the C-terminal intracellular product to the nucleus.

Therapeutic significance:

Understanding the role of Tyrosine-protein kinase RYK could open doors to potential therapeutic strategies.

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