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 procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P29317

UPID:
EPHA2_HUMAN

ALTERNATIVE NAMES:
Epithelial cell kinase; Tyrosine-protein kinase receptor ECK

ALTERNATIVE UPACC:
P29317; B5A968; Q8N3Z2

BACKGROUND:
Ephrin type-A receptor 2, identified by its alternative names Epithelial cell kinase and Tyrosine-protein kinase receptor ECK, is integral to cell signaling. It engages in forward and reverse signaling with ephrin-A ligands, affecting cell behavior and tissue development. Its roles extend to apoptosis, chemotactic migration, and microbial infection pathways, including hepatitis C virus and human cytomegalovirus entry.

THERAPEUTIC SIGNIFICANCE:
Given its association with Cataract 6 and its role in viral entry mechanisms, Ephrin type-A receptor 2 presents a promising target for therapeutic intervention. Exploring its functions further could unveil new therapeutic strategies for cataracts and viral infections.

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