AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for E3 ubiquitin-protein ligase ARIH2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 our partner 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 top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening 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

Reaxense

upacc

O95376

UPID:

ARI2_HUMAN

Alternative names:

RING-type E3 ubiquitin transferase ARIH2; Triad1 protein

Alternative UPACC:

O95376; Q9HBZ6; Q9UEM9

Background:

E3 ubiquitin-protein ligase ARIH2, also known as RING-type E3 ubiquitin transferase ARIH2 or Triad1 protein, plays a pivotal role in ubiquitination processes. It catalyzes the ubiquitination of target proteins in collaboration with ubiquitin-conjugating enzyme E2 UBE2L3. ARIH2 functions uniquely by associating with the cullin-5-RING ubiquitin ligase complex (ECS complex or CRL5 complex), initiating the addition of the first ubiquitin on ECS targets. This activity is crucial for the regulation of 'Lys-6', 'Lys-48'-, and 'Lys-63'-linked polyubiquitination, impacting various cellular processes.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase ARIH2 could open doors to potential therapeutic strategies.

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