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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P42892
UPID:
ECE1_HUMAN
Alternative names:
-
Alternative UPACC:
P42892; A8K3P1; B4E291; Q14217; Q17RN5; Q2Z2K8; Q58GE7; Q5THM5; Q5THM7; Q5THM8; Q9UJQ6; Q9UPF4; Q9UPM4; Q9Y501
Background:
Endothelin-converting enzyme 1 plays a pivotal role in cardiovascular physiology by converting big endothelin-1 to endothelin-1, a potent vasoconstrictor. This enzyme's activity is crucial for maintaining vascular tone and blood pressure.
Therapeutic significance:
Given its involvement in Hirschsprung disease, cardiac defects, and autonomic dysfunction, targeting Endothelin-converting enzyme 1 offers a promising avenue for therapeutic intervention in these conditions. Understanding its role could lead to novel treatments for these complex disorders.