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

Focused On-demand Libraries - Reaxense 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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

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:

TNF receptor-associated factor 3 (TRAF3), known alternatively as CD40 receptor-associated factor 1, CD40-binding protein, LMP1-associated protein 1, and RING-type E3 ubiquitin transferase TRAF3, plays a pivotal role in immune regulation. It acts as a cytoplasmic E3 ubiquitin ligase, influencing signaling pathways such as NF-kappa-B, MAPK, and IRF, thereby controlling immune and non-immune cell functions. TRAF3's involvement in TLR and RLR signaling pathways, through the synthesis of 'Lys-63'-linked polyubiquitin chains, activates type I interferon response and the inflammasome.

Therapeutic significance:

TRAF3's connection to Encephalopathy, acute, infection-induced, 5, herpes-specific, a rare complication of HHV-1 infection, underscores its therapeutic potential. Understanding TRAF3's role could pave the way for innovative treatments targeting this and possibly other immune-related disorders.