Focused On-demand Library for E3 ubiquitin-protein ligase TRIM9

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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

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.

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

Q9C026

UPID:

TRIM9_HUMAN

Alternative names:

RING finger protein 91; RING-type E3 ubiquitin transferase TRIM9; Tripartite motif-containing protein 9

Alternative UPACC:

Q9C026; D3DSB7; D3DSB8; Q92557; Q96D24; Q96NI4; Q9C025; Q9C027

Background:

E3 ubiquitin-protein ligase TRIM9, also known as RING finger protein 91 and Tripartite motif-containing protein 9, plays a pivotal role in neuronal functions. It ubiquitinates itself in cooperation with UBE2D2/UBC4, targeting itself for proteasomal degradation. This process is crucial for the regulation of synaptic vesicle exocytosis, influencing the availability of SNAP25 for SNARE complex formation.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase TRIM9 could open doors to potential therapeutic strategies.