Focused On-demand Library for E3 ubiquitin-protein ligase TRIM8

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 utilise our cutting-edge, exclusive workflow to develop focused 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q9BZR9

UPID:
TRIM8_HUMAN

ALTERNATIVE NAMES:
Glioblastoma-expressed RING finger protein; RING finger protein 27; RING-type E3 ubiquitin transferase TRIM8; Tripartite motif-containing protein 8

ALTERNATIVE UPACC:
Q9BZR9; A6NI31; Q9C028

BACKGROUND:
The protein E3 ubiquitin-protein ligase TRIM8, known for its roles in various biological processes including the innate immune response and cell differentiation, is crucial for the proteasomal degradation of SOCS1 and the activation of NF-kappa-B. It negatively regulates TLR3/4-mediated responses by affecting TICAM1-TBK1 interaction.

THERAPEUTIC SIGNIFICANCE:
Given TRIM8's critical function in Focal segmental glomerulosclerosis and neurodevelopmental syndrome, exploring its mechanisms offers a promising avenue for developing novel treatments. The protein's diverse roles in cellular processes make it an attractive target for drug discovery.

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