AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Carboxypeptidase E

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P16870

UPID:

CBPE_HUMAN

Alternative names:

Carboxypeptidase H; Enkephalin convertase; Prohormone-processing carboxypeptidase

Alternative UPACC:

P16870; A8K4N1; B3KR42; B4DFN4; D3DP33; Q9UIU9

Background:

Carboxypeptidase E (CPE), also known as Carboxypeptidase H or Enkephalin convertase, plays a crucial role in the sorting and processing of prohormones. It directs prohormones to the regulated secretory pathway and acts as a prohormone processing enzyme in neuro/endocrine cells, removing dibasic residues from peptide hormone precursors.

Therapeutic significance:

CPE is implicated in BDV syndrome, an autosomal recessive disorder characterized by obesity, intellectual disability, and hypogonadotropic hypogonadism. Understanding the role of Carboxypeptidase E could open doors to potential therapeutic strategies for BDV syndrome and related endocrine disorders.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.