Focused On-demand Library for Beta-1,4-galactosyltransferase 3

Details

Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


We employ our advanced, specialised process to create 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
O60512

UPID:
B4GT3_HUMAN

ALTERNATIVE NAMES:
Beta-N-acetylglucosaminyl-glycolipid beta-1,4-galactosyltransferase; Beta-N-acetylglucosaminylglycopeptide beta-1,4-galactosyltransferase; N-acetyllactosamine synthase; Nal synthase; Neolactotriaosylceramide beta-1,4-galactosyltransferase; UDP-Gal:beta-GlcNAc beta-1,4-galactosyltransferase 3; UDP-galactose:beta-N-acetylglucosamine beta-1,4-galactosyltransferase 3

ALTERNATIVE UPACC:
O60512; D3DVG3; O60910; Q9BPZ4; Q9H8T2

BACKGROUND:
The enzyme Beta-1,4-galactosyltransferase 3, also referred to as UDP-Gal:beta-GlcNAc beta-1,4-galactosyltransferase 3, is integral to the biosynthesis of complex N-linked oligosaccharides and glycolipid carbohydrate moieties. These biochemical processes are critical for the proper functioning of glycoproteins and glycolipids, which are involved in numerous cellular mechanisms including adhesion, signaling, and immune response.

THERAPEUTIC SIGNIFICANCE:
The exploration of Beta-1,4-galactosyltransferase 3's function offers promising insights into developing therapeutic interventions. Given its central role in glycoprotein and glycolipid synthesis, targeting this enzyme could lead to innovative treatments for conditions arising from glycosylation abnormalities.

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