AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Probable E3 ubiquitin-protein ligase TRIML2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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 use our state-of-the-art dedicated workflow for designing focused 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

Q8N7C3

UPID:

TRIMM_HUMAN

Alternative names:

RING-type E3 ubiquitin transferase TRIML2; SPRY domain-containing protein 6; Tripartite motif family-like protein 2

Alternative UPACC:

Q8N7C3; B7Z6J6

Background:

The Probable E3 ubiquitin-protein ligase TRIML2, also known by its alternative names RING-type E3 ubiquitin transferase TRIML2, SPRY domain-containing protein 6, and Tripartite motif family-like protein 2, plays a pivotal role in the ubiquitination pathway. This process is crucial for protein degradation, signaling, and cellular homeostasis.

Therapeutic significance:

Understanding the role of Probable E3 ubiquitin-protein ligase TRIML2 could open doors to potential therapeutic strategies. Its involvement in the ubiquitination process makes it a key target for drug discovery, aiming to regulate protein degradation pathways for disease treatment.

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