Focused On-demand Library for Ephrin type-A receptor 2

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.

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

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

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, also known as Epithelial cell kinase or Tyrosine-protein kinase receptor ECK, plays a pivotal role in various cellular processes. It binds ephrin-A family ligands, initiating bidirectional signaling that regulates cell migration, adhesion, proliferation, and differentiation. This receptor is crucial in development, angiogenesis, hindbrain development, and mammary gland development. It also influences lens transparency and bone remodeling.

Therapeutic significance:

The involvement of Ephrin type-A receptor 2 in Cataract 6, multiple types, underscores its therapeutic potential. Understanding its role could lead to innovative treatments for this and other diseases, including its function as a receptor for hepatitis C virus and human cytomegalovirus, suggesting avenues for antiviral strategies.