Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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 employ our advanced, specialised process to create 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.


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
Receptor.AI
 
UPACC
P29322

UPID:
EPHA8_HUMAN

ALTERNATIVE NAMES:
EPH- and ELK-related kinase; EPH-like kinase 3; Tyrosine-protein kinase receptor EEK

ALTERNATIVE UPACC:
P29322; Q6IN80; Q8IUX6; Q9NUA9; Q9P269

BACKGROUND:
EPHA8, a pivotal receptor tyrosine kinase, engages with GPI-anchored ephrin-A ligands to initiate contact-dependent signaling. This process is essential for cell-to-cell communication, influencing cell adhesion to fibronin substrates and neurite extension. Its involvement in the nervous system's development, particularly in axon guidance, underscores its biological significance.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ephrin type-A receptor 8 offers promising avenues for developing novel therapeutic approaches.

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