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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

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

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O94766

UPID:

B3GA3_HUMAN

Alternative names:

Beta-1,3-glucuronyltransferase 3; Glucuronosyltransferase I; UDP-GlcUA:Gal beta-1,3-Gal-R glucuronyltransferase

Alternative UPACC:

O94766; B7ZAB3; Q96I06; Q9UEP0

Background:

Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 3, also known as Beta-1,3-glucuronyltransferase 3, plays a crucial role in glycosaminoglycans biosynthesis. It is pivotal in forming the linkage tetrasaccharide in heparan sulfate and chondroitin sulfate, transferring a glucuronic acid moiety to the common linkage region trisaccharide. This enzyme exhibits strict specificity for its substrate, highlighting its unique function in the biosynthesis pathway.

Therapeutic significance:

The enzyme's association with Multiple joint dislocations, short stature, and craniofacial dysmorphism with or without congenital heart defects underscores its therapeutic significance. Understanding the role of Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase 3 could open doors to potential therapeutic strategies for treating this autosomal recessive disease.