Focused On-demand Library for E3 ubiquitin-protein ligase TRIM65

Details

Focused On-demand Libraries - Receptor.AI 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. Reaxense helps in synthesizing and delivering these compounds.


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 high-tech, dedicated method is applied to construct targeted 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
Q6PJ69

UPID:
TRI65_HUMAN

ALTERNATIVE NAMES:
Tripartite motif-containing protein 65

ALTERNATIVE UPACC:
Q6PJ69; Q4G0F0; Q6DKJ6; Q9BRP6

BACKGROUND:
The E3 ubiquitin-protein ligase TRIM65, recognized alternatively as Tripartite motif-containing protein 65, is integral to several biological processes including innate immunity, autophagy, and inflammation control. It modulates miRNAs through the ubiquitination of TNRC6A, affecting RNA-mediated gene silencing and enhancing autophagy by suppressing miR-138-5p. TRIM65 is crucial in antiviral responses by facilitating 'Lys-63'-mediated ubiquitination of IFIH1/MDA5 and mitigates inflammation by targeting VCAM1 and NLRP3 for degradation, thus inhibiting LPS-induced lung inflammation and inflammasome activation.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of E3 ubiquitin-protein ligase TRIM65 could open doors to potential therapeutic strategies.

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