AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ubiquitin-conjugating enzyme E2 J2

Available from Reaxense
Predicted by Alphafold

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop 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

Q8N2K1

UPID:

UB2J2_HUMAN

Alternative names:

E2 ubiquitin-conjugating enzyme J2; Non-canonical ubiquitin-conjugating enzyme 2

Alternative UPACC:

Q8N2K1; A8MYC7; Q504T9; Q96N26; Q96T84

Background:

Ubiquitin-conjugating enzyme E2 J2, also known as E2 ubiquitin-conjugating enzyme J2 and Non-canonical ubiquitin-conjugating enzyme 2, plays a pivotal role in protein homeostasis. It catalyzes the covalent attachment of ubiquitin to other proteins, a critical process in the selective degradation of misfolded membrane proteins via the endoplasmic reticulum-associated degradation (ERAD) pathway.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 J2 could open doors to potential therapeutic strategies. Its involvement in protein degradation pathways highlights its potential as a target in diseases characterized by protein misfolding and accumulation.

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