AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Eyes absent homolog 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

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

Q99502

UPID:

EYA1_HUMAN

Alternative names:

-

Alternative UPACC:

Q99502; A6NHQ0; G5E9R4; Q0P516; Q8WX80

Background:

Eyes absent homolog 1 (EYA1) is a multifunctional protein, acting as both a protein phosphatase and a transcriptional coactivator for SIX family members. It plays a crucial role in DNA repair by dephosphorylating 'Tyr-142' of histone H2AX, facilitating the recruitment of DNA repair complexes. Additionally, EYA1 is instrumental in embryonic development, particularly in the formation of the craniofacial and trunk skeleton, kidneys, and ears, showcasing its significance in organogenesis.

Therapeutic significance:

EYA1's involvement in Branchiootorenal syndrome 1, Otofaciocervical syndrome 1, Branchiootic syndrome 1, and Anterior segment anomalies with or without cataract highlights its therapeutic potential. Understanding the role of Eyes absent homolog 1 could open doors to potential therapeutic strategies for these congenital disorders, emphasizing the importance of targeted research in uncovering novel treatments.

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