Focused On-demand Library for E3 ubiquitin-protein ligase TRIM31

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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 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

Q9BZY9

UPID:

TRI31_HUMAN

Alternative names:

Tripartite motif-containing protein 31

Alternative UPACC:

Q9BZY9; A6NLX6; A9R9Q4; Q53H52; Q5RI37; Q5SRJ7; Q5SRJ8; Q5SS28; Q96AK4; Q96AP8; Q99579; Q9BZY8

Background:

E3 ubiquitin-protein ligase TRIM31, also known as Tripartite motif-containing protein 31, plays a pivotal role in the immune response to viral infections. It regulates antiviral defense by mediating 'Lys-63'-linked ubiquitination of MAVS, enhancing MAVS polymerization on mitochondria. Additionally, TRIM31 acts as a negative regulator of the NLRP3 inflammasome through 'Lys-48'-linked ubiquitination, leading to NLRP3 degradation.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM31 could open doors to potential therapeutic strategies. Its involvement in regulating antiviral immune responses and inflammation highlights its potential as a target for developing treatments for viral infections and inflammatory conditions.