Focused On-demand Library for E3 ubiquitin-protein ligase TRAF7

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 employ our advanced, specialised process to create targeted 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.

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

Q6Q0C0

UPID:

TRAF7_HUMAN

Alternative names:

RING finger and WD repeat-containing protein 1; RING finger protein 119; RING-type E3 ubiquitin transferase TRAF7; TNF receptor-associated factor 7

Alternative UPACC:

Q6Q0C0; Q9H073

Background:

E3 ubiquitin-protein ligase TRAF7, known for its roles in auto-ubiquitination following phosphorylation by MAP3K3, is a pivotal player in cellular signaling. It enhances MAP3K3-mediated activation of key transcriptional regulators including NF-kappa-B, JUN/AP1, and DDIT3, and is involved in apoptosis when overexpressed. Its interaction with MAP3K3 is crucial for the phosphorylation of MAPK1 and/or MAPK3.

Therapeutic significance:

The protein is linked to a disorder characterized by cardiac, facial, and digital anomalies with developmental delay, underscoring its potential as a target for therapeutic intervention. Understanding the role of E3 ubiquitin-protein ligase TRAF7 could open doors to potential therapeutic strategies.