Focused On-demand Library for RING finger protein 145

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.


Our high-tech, dedicated method is applied to construct 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
Q96MT1

UPID:
RN145_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q96MT1; B7Z903; B7Z949; E7EVI7; Q8IVP7

BACKGROUND:
The RING finger protein 145, with its unique E3 ubiquitin ligase function, is central to the ubiquitination and subsequent degradation of specific substrates. This includes the regulation of CYBA and CYBB NADPH oxidase catalytic subunits, essential for antimicrobial reactive oxygen species generation, and the ubiquitination of HMGCR and SCAP, key regulators of cholesterol biosynthesis. Its interaction with INSIG1 underscores its critical role in lipid metabolism.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of RING finger protein 145 offers a promising avenue for developing novel therapeutic approaches. Its critical role in immune response modulation and cholesterol homeostasis management positions it as a valuable target for interventions in diseases linked to oxidative stress and cholesterol imbalance.

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