Focused On-demand Library for E3 ubiquitin-protein ligase TRIM52

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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.

We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96A61

UPID:

TRI52_HUMAN

Alternative names:

RING finger protein 102; Tripartite motif-containing protein 52

Alternative UPACC:

Q96A61; L0CQ38; Q59G66

Background:

E3 ubiquitin-protein ligase TRIM52, also known as RING finger protein 102 and Tripartite motif-containing protein 52, plays a crucial role in cellular processes. It is a key regulator of the NF-kappa-B signaling pathway, enhancing immune and inflammatory responses. Additionally, TRIM52 exhibits antiviral activity against Japanese encephalitis virus by targeting the viral NS2A protein for degradation.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM52 could open doors to potential therapeutic strategies. Its involvement in regulating immune responses and antiviral activity highlights its potential as a target for developing treatments for inflammatory diseases and viral infections.