Focused On-demand Library for Carboxypeptidase M

Details

Focused On-demand Libraries - Receptor.AI Collaboration


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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P14384

UPID:
CBPM_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P14384; B2R800; Q9H2K9

BACKGROUND:
Carboxypeptidase M plays an essential role in the post-translational modification of proteins by removing C-terminal basic residues. This activity is believed to be crucial for the regulation of peptide hormone and growth factor functions at the cell surface, as well as in the degradation of proteins outside the cell. The protein, identified by the UniProt accession number P14384, is a key player in the control of extracellular protein levels.

THERAPEUTIC SIGNIFICANCE:
The exploration of Carboxypeptidase M's enzymatic mechanisms offers a promising avenue for the development of novel therapeutic interventions. By elucidating its role in peptide hormone and growth factor regulation, researchers can identify new targets for drug development, potentially leading to breakthrough treatments for diseases where these molecules play a pivotal role.

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