Focused On-demand Library for Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 2

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9NPZ5

UPID:
B3GA2_HUMAN

ALTERNATIVE NAMES:
Beta-1,3-glucuronyltransferase 2; GlcAT-D; UDP-glucuronosyltransferase S

ALTERNATIVE UPACC:
Q9NPZ5; Q5JS09; Q8TF38; Q96NK4

BACKGROUND:
The enzyme Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 2, known alternatively as Beta-1,3-glucuronyltransferase 2, GlcAT-D, and UDP-glucuronosyltransferase S, is integral to the synthesis of the L2/HNK-1 carbohydrate epitope on glycolipids and glycoproteins. This epitope is essential for various biological processes, including cell adhesion and migration.

THERAPEUTIC SIGNIFICANCE:
The exploration of Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 2's function offers a promising pathway to uncovering new therapeutic strategies. Given its critical role in cell surface molecule biosynthesis, targeting this protein could lead to breakthroughs in treating diseases where cell communication and migration are disrupted.

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