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 utilise our cutting-edge, exclusive workflow to develop focused 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P15085
UPID:
CBPA1_HUMAN
Alternative names:
-
Alternative UPACC:
P15085; A4D1M1; Q53XU0; Q9BS67; Q9UCF2
Background:
Carboxypeptidase A1 plays a crucial role in protein metabolism by catalyzing the release of a C-terminal amino acid, excluding -Asp, -Glu, -Arg, -Lys, or -Pro. It is also involved in the conversion of leukotriene C4 to leukotriene F4, highlighting its significance in biochemical pathways.
Therapeutic significance:
Understanding the role of Carboxypeptidase A1 could open doors to potential therapeutic strategies. Its involvement in critical biochemical pathways underscores its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.