AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Eyes absent homolog 2

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.

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

 Fig. 1. The sreening 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

Reaxense

upacc

O00167

UPID:

EYA2_HUMAN

Alternative names:

-

Alternative UPACC:

O00167; Q5JSW8; Q86U84; Q96CV6; Q96H97; Q99503; Q99812; Q9BWF6; Q9H4S3; Q9H4S9; Q9NPZ4; Q9UIX7

Background:

Eyes absent homolog 2 (EYA2) serves dual roles as a protein phosphatase and transcriptional coactivator, crucial for organogenesis and DNA repair. It dephosphorylates 'Tyr-142' of histone H2AX, facilitating DNA repair by recruiting MDC1-containing complexes. EYA2's involvement in hypaxial muscle development, alongside SIX1 and DACH2, underscores its redundancy with EYA1 in this process.

Therapeutic significance:

Understanding the role of Eyes absent homolog 2 could open doors to potential therapeutic strategies, especially in enhancing DNA repair mechanisms and muscle development processes.

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