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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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.


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
Q9BV68

UPID:
RN126_HUMAN

ALTERNATIVE NAMES:
RING finger protein 126

ALTERNATIVE UPACC:
Q9BV68; Q9NWX1

BACKGROUND:
The E3 ubiquitin-protein ligase RNF126, recognized as RING finger protein 126, is integral to cellular ubiquitination mechanisms, facilitating the degradation of mislocalized proteins and the recycling of membrane receptors. By mediating ubiquitination, RNF126 plays a role in the proteasomal degradation pathway, essential for maintaining cellular homeostasis. Its activity affects the fate of proteins like EGFR, FLT3, MET, and CXCR4, and it has a role in cell proliferation through the degradation of CDKN1A/p21.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of E3 ubiquitin-protein ligase RNF126 unveils potential avenues for therapeutic intervention. Its critical role in ubiquitination and protein degradation pathways offers insights into targeting diseases with underlying protein homeostasis imbalances.

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