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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the 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.