Focused On-demand Library for UDP-glucuronic acid decarboxylase 1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.


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 screening 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 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
Q8NBZ7

UPID:
UXS1_HUMAN

ALTERNATIVE NAMES:
UDP-glucuronate decarboxylase 1

ALTERNATIVE UPACC:
Q8NBZ7; Q8NBX3; Q9H5C2

BACKGROUND:
The enzyme UDP-glucuronic acid decarboxylase 1, also referred to as UDP-glucuronate decarboxylase 1, is instrumental in converting UDP-glucuronic acid to UDP-xylose, a key step in glycosaminoglycan biosynthesis. This reaction is vital for the production of the core tetrasaccharide, underscoring the enzyme's significant role in cellular function and structure.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of UDP-glucuronic acid decarboxylase 1 offers a promising avenue for developing novel therapeutic approaches. Given its crucial role in the synthesis of glycosaminoglycans, targeting this enzyme could lead to breakthroughs in treating diseases where glycosaminoglycan function is compromised.

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