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.
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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q66K79
UPID:
CBPZ_HUMAN
Alternative names:
-
Alternative UPACC:
Q66K79; O00520; Q96MX2
Background:
Carboxypeptidase Z, identified by the accession number Q66K79, is an enzyme known for its unique ability to cleave substrates with C-terminal arginine residues. This protein is speculated to influence the Wnt signaling pathway through the cleavage of an unspecified protein, and it may also play a pivotal role in prohormone processing by facilitating cleavage.
Therapeutic significance:
Understanding the role of Carboxypeptidase Z could open doors to potential therapeutic strategies. Its involvement in the Wnt signaling pathway and prohormone processing suggests a multifaceted role in biological systems, making it an intriguing subject for scientific inquiry and drug discovery.