Focused On-demand Library for E3 ubiquitin-protein ligase TRIM45

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9H8W5

UPID:

TRI45_HUMAN

Alternative names:

RING finger protein 99

Alternative UPACC:

Q9H8W5; Q53GN0; Q5T2K4; Q5T2K5; Q8IYV6

Background:

E3 ubiquitin-protein ligase TRIM45, also known as RING finger protein 99, plays a pivotal role in the regulation of the inflammatory response. It achieves this by mediating the 'Lys-48'-linked polyubiquitination of TAB2, leading to its degradation and consequently inhibiting the TLR-mediated inflammatory immune response. This process underscores the protein's critical function in the mitogen-activated protein kinase signaling pathway.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM45 could open doors to potential therapeutic strategies. Its involvement in the inflammatory response highlights its potential as a target for developing treatments aimed at inflammatory diseases.