AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tyrosine-protein kinase Yes

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised 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.

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

P07947

UPID:

YES_HUMAN

Alternative names:

Proto-oncogene c-Yes; p61-Yes

Alternative UPACC:

P07947; A6NLB3; D3DUH1

Background:

Tyrosine-protein kinase Yes, also known as Proto-oncogene c-Yes and p61-Yes, plays a pivotal role in cell growth, survival, apoptosis, and differentiation. It is activated by receptor tyrosine kinases such as EGFR and PDGFR, leading to phosphorylation of downstream substrates. This kinase is essential for epithelial tight junction assembly, cell-cell adhesion, and T-cell migration, highlighting its importance in cellular communication and immune response.

Therapeutic significance:

Understanding the role of Tyrosine-protein kinase Yes could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as cell cycle progression and cytokinesis underscores its potential as a target in cancer therapy and immune modulation.

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