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.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q9UIV1

UPID:
CNOT7_HUMAN

ALTERNATIVE NAMES:
BTG1-binding factor 1; CCR4-associated factor 1; Caf1a

ALTERNATIVE UPACC:
Q9UIV1; A8MZM5; B3KMP1; B3KN35; D3DSP6; G3V108; Q7Z530

BACKGROUND:
The protein CCR4-NOT transcription complex subunit 7, alternatively named BTG1-binding factor 1 or Caf1a, plays a pivotal role in cellular mRNA regulation. It exhibits poly(A) exoribonuclease activity, contributing to mRNA degradation and translational repression. As part of the CCR4-NOT complex, it influences miRNA-mediated repression and is essential for the anti-proliferative activity of BTG family proteins.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of CCR4-NOT transcription complex subunit 7 offers a promising avenue for developing novel therapeutic interventions.

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