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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.