Focused On-demand Library for Mast cell carboxypeptidase A

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P15088

UPID:
CBPA3_HUMAN

ALTERNATIVE NAMES:
Carboxypeptidase A3

ALTERNATIVE UPACC:
P15088; Q96E94

BACKGROUND:
The protein known as Mast cell carboxypeptidase A, with alternative names including Carboxypeptidase A3, is encoded by the gene identified by the accession number P15088. It is involved in the catalytic breakdown of proteins and peptides by removing terminal amino acids, playing a pivotal role in physiological processes such as peptide hormone regulation and digestion.

THERAPEUTIC SIGNIFICANCE:
The exploration of Mast cell carboxypeptidase A's function offers promising avenues for therapeutic intervention. Given its critical role in the processing of peptides, it may be a key target in developing treatments for disorders associated with peptide hormones and digestive issues. Further research into this protein could unveil new therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.