Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8N119
UPID:
MMP21_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N119; Q5VZP9; Q8NG02
Background:
Matrix metalloproteinase-21 (MMP-21) plays a crucial role in embryogenesis, specifically in establishing left-right asymmetry. It functions as a negative regulator of the NOTCH-signaling pathway and is involved in the cleavage of alpha-1-antitrypsin. Its unique role underscores its importance in developmental biology.
Therapeutic significance:
MMP-21 is linked to Heterotaxy, visceral, 7, autosomal, a disorder characterized by the disorganized placement of thoracoabdominal organs. Understanding MMP-21's role could pave the way for innovative treatments for congenital defects, including cardiac malformations.