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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8IVL8
UPID:
CBPO_HUMAN
Alternative names:
-
Alternative UPACC:
Q8IVL8; Q2M277; Q7RTW7
Background:
Carboxypeptidase O is a specialized enzyme with a unique ability to cleave C-terminal acidic residues from peptides and proteins. Its enzymatic activity extends to hydrophobic amino acids, showing a preference for smaller residues. This specificity highlights its critical role in protein processing and metabolism.
Therapeutic significance:
Understanding the role of Carboxypeptidase O could open doors to potential therapeutic strategies. Its enzymatic functions suggest its involvement in key biological processes, making it a target of interest for drug discovery efforts aimed at modulating protein metabolism.