Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
Our high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P48052
UPID:
CBPA2_HUMAN
Alternative names:
-
Alternative UPACC:
P48052; A4D1M4; C9JIK1; Q53XS1; Q96A12; Q96QN3; Q9UCF1
Background:
Carboxypeptidase A2 (CPA2) is an enzyme that plays a crucial role in the metabolic breakdown of proteins and peptides, specifically in the removal of C-terminal amino acids. Its precise mechanism and structure, akin to other carboxypeptidases, involve a zinc ion that aids in catalysis, making it a vital component in digestive processes.
Therapeutic significance:
Understanding the role of Carboxypeptidase A2 could open doors to potential therapeutic strategies. Its involvement in protein metabolism suggests its potential impact on diseases related to protein processing and digestion. Targeting CPA2 could lead to novel treatments for metabolic disorders.