Focused On-demand Library for Eyes absent homolog 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
Q99502

UPID:
EYA1_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q99502; A6NHQ0; G5E9R4; Q0P516; Q8WX80

BACKGROUND:
The Eyes absent homolog 1 protein functions as a critical component in organ development and DNA repair mechanisms. Its ability to dephosphorylate 'Tyr-142' of histone H2AX underscores its role in the efficient repair of DNA damage. EYA1's activity is not limited to histone modification; it also serves as a transcriptional coactivator for the SIX family, contributing to muscle development and organogenesis. This protein's versatility is evident in its involvement in key developmental processes and cellular repair pathways.

THERAPEUTIC SIGNIFICANCE:
Given its association with various developmental disorders, including Branchiootorenal syndrome 1 and Anterior segment anomalies, Eyes absent homolog 1 represents a promising target for therapeutic intervention. The exploration of EYA1's functions and mechanisms offers a promising avenue for the development of innovative treatments for these complex conditions. The potential to mitigate or cure these diseases through targeted therapies underscores the critical nature of ongoing research into EYA1.

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