AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for E3 ubiquitin-protein ligase RNF125

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 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 utilise our cutting-edge, exclusive workflow to develop 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.

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

Reaxense

upacc

Q96EQ8

UPID:

RN125_HUMAN

Alternative names:

RING finger protein 125; T-cell RING activation protein 1

Alternative UPACC:

Q96EQ8; Q9NX39

Background:

E3 ubiquitin-protein ligase RNF125, also known as RING finger protein 125 and T-cell RING activation protein 1, plays a pivotal role in the ubiquitination and subsequent proteasomal degradation of target proteins. This includes key regulators of immune responses such as RIGI, MAVS/IPS1, IFIH1/MDA5, JAK1, and p53/TP53. Its activity is crucial in modulating type I interferon production and T-cell activation, highlighting its multifaceted role in immune regulation.

Therapeutic significance:

Given its involvement in Tenorio syndrome, characterized by overgrowth, macrocephaly, and intellectual disability, E3 ubiquitin-protein ligase RNF125 represents a potential target for therapeutic intervention. Understanding the role of E3 ubiquitin-protein ligase RNF125 could open doors to potential therapeutic strategies.

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