Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8N4T0
UPID:
CBPA6_HUMAN
Alternative names:
-
Alternative UPACC:
Q8N4T0; Q8NEX8; Q8TDE8; Q9NRI9
Background:
Carboxypeptidase A6 plays a crucial role in the proteolytic inactivation of enkephalins and neurotensin in certain brain areas, and is involved in the conversion of angiotensin I to angiotensin II. It prefers large hydrophobic C-terminal amino acids, with minimal activity towards small amino acids and histidine.
Therapeutic significance:
Linked to familial temporal lobe epilepsy and febrile seizures, Carboxypeptidase A6's genetic variants suggest its potential as a target for therapeutic intervention in these neurological conditions.