Focused On-demand Library for E3 ubiquitin-protein ligase TRIM41

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We employ our advanced, specialised process to create targeted 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

Q8WV44

UPID:

TRI41_HUMAN

Alternative names:

RING finger-interacting protein with C kinase; Tripartite motif-containing protein 41

Alternative UPACC:

Q8WV44; B3KNJ6; D3DWR9; Q5BKT0; Q7L484; Q96Q10; Q9BSL8

Background:

E3 ubiquitin-protein ligase TRIM41, also known as RING finger-interacting protein with C kinase and Tripartite motif-containing protein 41, is pivotal in the innate antiviral response. It targets viral nucleoproteins from influenza A virus and vesicular stomatitis virus for ubiquitination and degradation, limiting viral spread. TRIM41 activates CGAS through monoubiquitination and mediates 'Lys-63'-linked polyubiquitylation of BCL10, enhancing the NF-kappa-B and IRF3 pathways. Beyond immune defense, it regulates protein kinase C, ZSCAN21, and TOP3B degradation.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM41 could open doors to potential therapeutic strategies.