AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Apoptosis-resistant E3 ubiquitin protein ligase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

 Fig. 1. The sreening 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.

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

O15033

UPID:

AREL1_HUMAN

Alternative names:

Apoptosis-resistant HECT-type E3 ubiquitin transferase 1

Alternative UPACC:

O15033; B4E2C7; Q7LDY1; Q8IYY9

Background:

Apoptosis-resistant E3 ubiquitin protein ligase 1, alternatively known as Apoptosis-resistant HECT-type E3 ubiquitin transferase 1, plays a crucial role in ubiquitination processes. It catalyzes 'Lys-11'- or 'Lys-33'-linked polyubiquitin chains, showing a preference for 'Lys-33' linkages. This enzyme accepts ubiquitin from an E2 ubiquitin-conjugating enzyme and transfers it to targeted substrates, including SEPTIN4, DIABLO/SMAC, and HTRA2.

Therapeutic significance:

Understanding the role of Apoptosis-resistant E3 ubiquitin protein ligase 1 could open doors to potential therapeutic strategies. Its ability to modulate pulmonary inflammation by targeting SOCS2 for ubiquitination and degradation highlights its significance in inflammatory pathways.

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