AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for UDP-glucose 4-epimerase

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 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 employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q14376

UPID:

GALE_HUMAN

Alternative names:

Galactowaldenase; UDP-N-acetylgalactosamine 4-epimerase; UDP-N-acetylglucosamine 4-epimerase; UDP-galactose 4-epimerase

Alternative UPACC:

Q14376; A0A024RAH5; B3KQ39; Q38G75; Q86W41; Q9BVE3; Q9UJB4

Background:

UDP-glucose 4-epimerase, also known as Galactowaldenase, plays a pivotal role in galactose metabolism. It catalyzes the reversible epimerization of UDP-glucose to UDP-galactose, integral to the Leloir pathway. This enzyme's activity is crucial for converting dietary galactose into the glycolytic intermediate glucose 6-phosphate, facilitating the catabolism of galactose and the biosynthesis of UDP-Gal and UDP-GalNAc.

Therapeutic significance:

Galactosemia 3, a severe metabolic disorder, is directly linked to mutations affecting UDP-glucose 4-epimerase. Understanding the enzyme's function could pave the way for innovative treatments for this condition, which manifests with jaundice, hypoglycemia, and intellectual disability due to galactose epimerase deficiency.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.