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

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


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


 

Fig. 1. The screening 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
Receptor.AI
 
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:
The enzyme Beta-1,3-galactosyltransferase 6, also referred to as GAG GalTII or Galactosyltransferase II, is integral to the formation of glycosaminoglycans by transferring galactose to specific substrates. Its activity is essential for the proper assembly of heparan sulfate and chondroitin sulfate, which are critical components of the extracellular matrix.

THERAPEUTIC SIGNIFICANCE:
Beta-1,3-galactosyltransferase 6's involvement in the pathogenesis of diseases such as Ehlers-Danlos syndrome, spondylodysplastic type, 2, and Al-Gazali syndrome highlights its potential as a target for therapeutic intervention. Exploring the enzyme's role could unveil new pathways for treating these genetic disorders.

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