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

Focused On-demand Libraries - Reaxense 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.

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.

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

Fig. 1. The sreening 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

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.