Focused On-demand Library for E3 ubiquitin-protein ligase RNF168

Details

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.


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 employ our advanced, specialised process to create targeted 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
Q8IYW5

UPID:
RN168_HUMAN

ALTERNATIVE NAMES:
RING finger protein 168; RING-type E3 ubiquitin transferase RNF168

ALTERNATIVE UPACC:
Q8IYW5; Q8NA67; Q96NS4

BACKGROUND:
The E3 ubiquitin-protein ligase RNF168, or RING-type E3 ubiquitin transferase RNF168, is crucial for DNA damage repair, acting to concentrate ubiquitinated histones at lesion sites. This facilitates the recruitment of key repair and transcriptional silencing proteins, ensuring genomic integrity. RNF168's role extends to class switch recombination in the immune system, highlighting its multifunctional importance in cellular defense mechanisms.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of E3 ubiquitin-protein ligase RNF168 could open doors to potential therapeutic strategies. Its direct link to Riddle syndrome, through gene variants affecting its expression, presents a unique opportunity to develop targeted therapies that could mitigate the syndrome's manifestations and improve patient outcomes.

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