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

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
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:
The enzyme UDP-glucose 4-epimerase, with aliases such as UDP-galactose 4-epimerase, is essential for the synthesis of glycoproteins and glycolipids. It facilitates the interconversion of UDP-sugars, a critical process for dietary galactose utilization and endogenous biosynthesis of essential sugars when external sources are scarce.

THERAPEUTIC SIGNIFICANCE:
Given its central role in galactose metabolism, UDP-glucose 4-epimerase is a key player in Galactosemia 3, an autosomal recessive disorder. Targeting this enzyme's pathway offers a promising avenue for developing therapeutic strategies to combat the severe symptoms associated with galactose epimerase deficiency.

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