Focused On-demand Library for TNF receptor-associated factor 3

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.


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
Q13114

UPID:
TRAF3_HUMAN

ALTERNATIVE NAMES:
CD40 receptor-associated factor 1; CD40-binding protein; LMP1-associated protein 1; RING-type E3 ubiquitin transferase TRAF3

ALTERNATIVE UPACC:
Q13114; B7Z8C4; Q12990; Q13076; Q13947; Q6AZX1; Q9UNL1

BACKGROUND:
The protein TNF receptor-associated factor 3, with aliases such as CD40 receptor-associated factor 1 and RING-type E3 ubiquitin transferase TRAF3, is integral to immune response modulation. It regulates key signaling pathways including NF-kappa-B, MAPK, and IRF, affecting biological processes across immune and non-immune cells. TRAF3's function as an E3 ubiquitin ligase in TLR and RLR pathways, promoting 'Lys-63'-linked polyubiquitination, is crucial for activating the type I interferon response and inflammasome, highlighting its broad regulatory role.

THERAPEUTIC SIGNIFICANCE:
Given TRAF3's involvement in the rare disease Encephalopathy, acute, infection-induced, 5, herpes-specific, due to HHV-1 infection, its study is vital for drug discovery. Understanding the role of TRAF3 could open doors to potential therapeutic strategies for combating this and related immune-mediated conditions.

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