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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P35590
UPID:
TIE1_HUMAN
Alternative names:
-
Alternative UPACC:
P35590; B5A949; B5A950
Background:
Tyrosine-protein kinase receptor Tie-1 plays a pivotal role in vascular development and angiogenesis, acting as a transmembrane tyrosine-protein kinase. It modulates TEK/TIE2 activity, crucial for blood vessel formation and maintenance.
Therapeutic significance:
Tie-1's involvement in Lymphatic malformation 11, characterized by lower extremity edema due to lymphatic system defects, highlights its potential as a therapeutic target. Understanding Tie-1's role could lead to novel treatments for lymphedema and related vascular anomalies.