Focused On-demand Library for E3 ubiquitin-protein ligase RNF31

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q96EP0

UPID:
RNF31_HUMAN

ALTERNATIVE NAMES:
HOIL-1-interacting protein; RING finger protein 31; RING-type E3 ubiquitin transferase RNF31; Zinc in-between-RING-finger ubiquitin-associated domain protein

ALTERNATIVE UPACC:
Q96EP0; A0A962; Q86VI2; Q8TEI0; Q96GB4; Q96NF1; Q9H5F1; Q9NWD2

BACKGROUND:
The protein E3 ubiquitin-protein ligase RNF31, known for its alternative names such as HOIL-1-interacting protein and RING-type E3 ubiquitin transferase RNF31, is a central component of the LUBAC complex. It is instrumental in the linear ubiquitination of proteins involved in NF-kappa-B activation and inflammation regulation. Its activities are critical for the activation of key cellular signaling pathways, protection against inflammation-induced cell death, and the promotion of angiogenesis through Wnt signaling modulation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of E3 ubiquitin-protein ligase RNF31 could open doors to potential therapeutic strategies.

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