Focused On-demand Library for Carboxypeptidase N catalytic chain

Focused On-demand Libraries - Reaxense Collaboration

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.

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 our associate 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.

Our high-tech, dedicated method is applied to construct 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P15169

UPID:

CBPN_HUMAN

Alternative names:

Anaphylatoxin inactivator; Arginine carboxypeptidase; Carboxypeptidase N polypeptide 1; Carboxypeptidase N small subunit; Kininase-1; Lysine carboxypeptidase; Plasma carboxypeptidase B; Serum carboxypeptidase N

Alternative UPACC:

P15169; B1AP59

Background:

Carboxypeptidase N, also known as Kininase-1 and Serum carboxypeptidase N, plays a crucial role in the body's defense mechanism. It inactivates potent vasoactive and inflammatory peptides with C-terminal Arg or Lys, such as kinins or anaphylatoxins, which are released into the circulation. This protein, identified by the accession number P15169, has alternative names including Anaphylatoxin inactivator and Plasma carboxypeptidase B.

Therapeutic significance:

Carboxypeptidase N deficiency, a condition marked by angioedema, chronic urticaria, hay fever, or asthma, is linked to mutations in the gene encoding this protein. Understanding the role of Carboxypeptidase N could open doors to potential therapeutic strategies for treating or managing this disorder.