Focused On-demand Library for Tripartite motif-containing protein 59

Details

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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q8IWR1

UPID:
TRI59_HUMAN

ALTERNATIVE NAMES:
RING finger protein 104; Tumor suppressor TSBF-1

ALTERNATIVE UPACC:
Q8IWR1; A8K5G9; D3DNL9

BACKGROUND:
The protein Tripartite motif-containing protein 59, with alternative names RING finger protein 104 and Tumor suppressor TSBF-1, is integral to development, immune response, and autophagy. It acts as an E3 ubiquitin ligase, suppressing RLR-induced activation of IRF3/7 and NF-kappa-B, and regulates both transcription and ubiquitination of BECN1. Additionally, TRIM59 mediates 'Lys-48'-linked ubiquitination of TRAF6, promoting its degradation, and is crucial for embryo development from the blastocyst stage to gastrula.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Tripartite motif-containing protein 59 could open doors to potential therapeutic strategies.

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