Focused On-demand Library for E3 ubiquitin-protein ligase TRIM13

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

O60858

UPID:

TRI13_HUMAN

Alternative names:

B-cell chronic lymphocytic leukemia tumor suppressor Leu5; Leukemia-associated protein 5; Putative tumor suppressor RFP2; RING finger protein 77; RING-type E3 ubiquitin transferase TRIM13; Ret finger protein 2; Tripartite motif-containing protein 13

Alternative UPACC:

O60858; B2RB49; Q5UBW0; Q5W0U8; Q5W0U9; Q9BQ47; Q9C021

Background:

E3 ubiquitin-protein ligase TRIM13, known for its roles in ER-associated degradation (ERAD), apoptosis, and immune response, is a pivotal player in cellular homeostasis. It targets proteins like MDM2 and AKT1 for degradation, influencing p53 stability and AKT1 kinase activity. Additionally, TRIM13 is involved in ER stress-induced autophagy and T-cell receptor-mediated NF-kappa-B activation, highlighting its multifunctional nature.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM13 could open doors to potential therapeutic strategies. Its involvement in key cellular processes such as apoptosis, immune response, and autophagy underscores its potential as a target in cancer therapy and immune disorders.