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.
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 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening 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.
Several key aspects differentiate our library:
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.