Focused On-demand Library for E3 ubiquitin-protein ligase ARIH1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q9Y4X5

UPID:
ARI1_HUMAN

ALTERNATIVE NAMES:
H7-AP2; HHARI; Monocyte protein 6; Protein ariadne-1 homolog; UbcH7-binding protein; UbcM4-interacting protein; Ubiquitin-conjugating enzyme E2-binding protein 1

ALTERNATIVE UPACC:
Q9Y4X5; B2R6U3; O76026; Q9H3T6; Q9UEN0; Q9UP39

BACKGROUND:
The E3 ubiquitin-protein ligase ARIH1, also referred to as Monocyte protein 6 and Protein ariadne-1 homolog, is integral to the ubiquitination pathway. It catalyzes the addition of the first ubiquitin molecule to target proteins, a critical step in the ubiquitin-proteasome system. ARIH1's interaction with ubiquitin-conjugating enzyme E2 UBE2L3 and its role in mediating EIF4E2 ubiquitination underlines its multifaceted function in protein regulation and cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of E3 ubiquitin-protein ligase ARIH1 could open doors to potential therapeutic strategies. Given its central role in the ubiquitination process and protein translation in response to DNA damage, ARIH1 represents a valuable target for drug discovery. Investigating ARIH1's functions and mechanisms may lead to breakthroughs in treating diseases linked to protein misfolding and cellular stress.

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