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.


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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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.


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
Receptor.AI
 
UPACC
Q96MI9

UPID:
CBPC4_HUMAN

ALTERNATIVE NAMES:
ATP/GTP-binding protein-like 1; Protein deglutamylase CCP4

ALTERNATIVE UPACC:
Q96MI9; A0A1C7CYX3; A1A4X5; A6NJH6; C9JHL5

BACKGROUND:
Cytosolic carboxypeptidase 4, known for its alternative names ATP/GTP-binding protein-like 1 and Protein deglutamylase CCP4, is a key enzyme in the post-translational modification of tubulin and other proteins. By mediating the deglutamylation process, it removes polyglutamate chains from the C-terminal tail of tubulin, thus playing a vital role in cellular dynamics and structure.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Corneal dystrophy, Fuchs endothelial, 8, Cytosolic carboxypeptidase 4 represents a promising target for drug discovery efforts. The enzyme's unique function in protein deglutamylation highlights its therapeutic significance, offering new avenues for the development of treatments for corneal diseases and potentially other conditions linked to protein modification anomalies.

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