Focused On-demand Libraries - Receptor.AI 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.


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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Q8NDL9

UPID:
CBPC5_HUMAN

ALTERNATIVE NAMES:
ATP/GTP-binding protein-like 5; Protein deglutamylase CCP5

ALTERNATIVE UPACC:
Q8NDL9; A2VDI7; B7WPG9; B7Z7I7; D6W548; Q53SW0; Q53SZ0; Q96IK8; Q9H6V0; Q9H8P8

BACKGROUND:
Cytosolic carboxypeptidase-like protein 5, identified by its alternative names Protein deglutamylase CCP5 and ATP/GTP-binding protein-like 5, is essential for the deglutamylation of tubulin. It ensures the proper functioning of cellular structures by removing excess glutamate residues, a process critical for maintaining cellular integrity and response mechanisms.

THERAPEUTIC SIGNIFICANCE:
Given its crucial role in the pathogenesis of Retinitis pigmentosa 75, a condition marked by progressive vision loss, Cytosolic carboxypeptidase-like protein 5 presents a promising target for therapeutic intervention. Exploring its functions further could lead to breakthroughs in treatments for this and potentially other degenerative diseases.

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