Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 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.
Our library distinguishes itself through several key aspects:
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.