AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 2-oxoglutarate and iron-dependent oxygenase JMJD4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q9H9V9

UPID:

JMJD4_HUMAN

Alternative names:

JmjC domain-containing protein 4; Jumonji domain-containing protein 4; Lysyl-hydroxylase JMJD4

Alternative UPACC:

Q9H9V9; Q5TBZ1; Q5TBZ6; Q9H970

Background:

The 2-oxoglutarate and iron-dependent oxygenase JMJD4, known alternatively as JmjC domain-containing protein 4, Jumonji domain-containing protein 4, and Lysyl-hydroxylase JMJD4, plays a crucial role in cellular processes. It catalyzes the 2-oxoglutarate and iron-dependent C4-lysyl hydroxylation of ETF1 at 'Lys-63', enhancing the translational termination efficiency of ETF1.

Therapeutic significance:

Understanding the role of 2-oxoglutarate and iron-dependent oxygenase JMJD4 could open doors to potential therapeutic strategies.

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