Focused On-demand Library for Beta-1,3-galactosyltransferase 6

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q96L58

UPID:

B3GT6_HUMAN

Alternative names:

GAG GalTII; Galactosyltransferase II; Galactosylxylosylprotein 3-beta-galactosyltransferase; UDP-Gal:betaGal beta 1,3-galactosyltransferase polypeptide 6

Alternative UPACC:

Q96L58; Q5T7M5

Background:

Beta-1,3-galactosyltransferase 6, known alternatively as GAG GalTII, Galactosyltransferase II, and Galactosylxylosylprotein 3-beta-galactosyltransferase, plays a pivotal role in the biosynthesis of glycosaminoglycans. This enzyme specifically transfers galactose from UDP-galactose to substrates with terminal beta-linked galactose residues, showing a preference for galactose-beta-1,4-xylose found in heparan sulfate and chondroitin sulfate.

Therapeutic significance:

Given its crucial role in the synthesis of glycosaminoglycans, Beta-1,3-galactosyltransferase 6 is implicated in several genetic disorders, including Ehlers-Danlos syndrome, spondylodysplastic type, 2, Spondyloepimetaphyseal dysplasia with joint laxity, and Al-Gazali syndrome. Understanding the enzyme's function could lead to novel therapeutic strategies for these conditions.