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.
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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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
Q9Y646
UPID:
CBPQ_HUMAN
Alternative names:
Lysosomal dipeptidase; Plasma glutamate carboxypeptidase
Alternative UPACC:
Q9Y646; B2RD88; Q8NBZ1; Q9UNM8; Q9Y5X6
Background:
Carboxypeptidase Q, known alternatively as Lysosomal dipeptidase and Plasma glutamate carboxypeptidase, plays a crucial role in peptide hydrolysis. It specializes in breaking down dipeptides into amino acids, a process essential for various biological functions, including the liberation of thyroxine hormone from its precursor, thyroglobulin (Tg).
Therapeutic significance:
Understanding the role of Carboxypeptidase Q could open doors to potential therapeutic strategies. Its involvement in peptide hydrolysis and hormone liberation highlights its significance in metabolic processes, suggesting avenues for intervention in related disorders.