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

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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

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.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
UPACC
O95376

UPID:
ARI2_HUMAN

ALTERNATIVE NAMES:
RING-type E3 ubiquitin transferase ARIH2; Triad1 protein

ALTERNATIVE UPACC:
O95376; Q9HBZ6; Q9UEM9

BACKGROUND:
The E3 ubiquitin-protein ligase ARIH2, recognized alternatively as RING-type E3 ubiquitin transferase ARIH2 or Triad1 protein, is integral to the ubiquitination mechanism, working in tandem with E2 UBE2L3. It stands out by its interaction with the ECS complex, mediating the first ubiquitin addition on targets, a step vital for 'Lys-6', 'Lys-48', and 'Lys-63' polyubiquitination. Its activation upon binding to the neddylated ECS complex underscores its significance in cellular regulation and myelopoiesis.

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

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