AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 1

Available from Reaxense
Predicted by Alphafold

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q9P2W7

UPID:

B3GA1_HUMAN

Alternative names:

Beta-1,3-glucuronyltransferase 1; Glucuronosyltransferase P; UDP-GlcUA:glycoprotein beta-1,3-glucuronyltransferase

Alternative UPACC:

Q9P2W7; B7Z5Z8; Q96FS7

Background:

Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 1, also known as Beta-1,3-glucuronyltransferase 1, plays a pivotal role in the biosynthesis of L2/HNK-1 carbohydrate epitope on glycoproteins. It is instrumental in glycosaminoglycan biosynthesis, acting on substrates like asialo-orosomucoid and asialo-fetuin. Its activity is contingent upon the presence of sphingomyelin, particularly those with saturated fatty acids.

Therapeutic significance:

Understanding the role of Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 1 could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.