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

Focused On-demand Libraries - Reaxense Collaboration

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.

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 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 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8NBZ7

UPID:

UXS1_HUMAN

Alternative names:

UDP-glucuronate decarboxylase 1

Alternative UPACC:

Q8NBZ7; Q8NBX3; Q9H5C2

Background:

UDP-glucuronic acid decarboxylase 1, alternatively known as UDP-glucuronate decarboxylase 1, plays a pivotal role in the biosynthesis of glycosaminoglycans by catalyzing the NAD-dependent decarboxylation of UDP-glucuronic acid to UDP-xylose. This enzymatic process is essential for the formation of the core tetrasaccharide, a fundamental component in glycosaminoglycan biosynthesis, highlighting its critical function in cellular physiology.

Therapeutic significance:

Understanding the role of UDP-glucuronic acid decarboxylase 1 could open doors to potential therapeutic strategies. Its central function in the biosynthesis of glycosaminoglycans, molecules crucial for various biological processes, underscores the potential for targeting this enzyme in disease treatment and intervention strategies.