Focused On-demand Library for E3 ubiquitin-protein ligase TRIM11

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Q96F44

UPID:
TRI11_HUMAN

ALTERNATIVE NAMES:
Protein BIA1; RING finger protein 92; Tripartite motif-containing protein 11

ALTERNATIVE UPACC:
Q96F44; A6NKE2; B2RB82; B3KUS3; B4DX88; Q5VSU1; Q8NCA6; Q9C022

BACKGROUND:
The E3 ubiquitin-protein ligase TRIM11, known for its alternative names such as Protein BIA1 and Tripartite motif-containing protein 11, is pivotal in the degradation of insoluble ubiquitinated proteins. It mediates the ubiquitination of MED15 leading to its proteasomal degradation and plays a significant role in the innate restriction of retroviruses. Furthermore, TRIM11 acts as an inhibitor of the AIM2 inflammasome by promoting autophagy-dependent degradation of AIM2, showcasing its versatile role in cellular defense mechanisms.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of E3 ubiquitin-protein ligase TRIM11 could open doors to potential therapeutic strategies.

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