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

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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.