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

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.

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 our associate Reaxense.

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 employ our advanced, specialised process to create targeted 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.

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

Reaxense

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:

Beta-1,4-galactosyltransferase 3, known by alternative names such as Beta-N-acetylglucosaminyl-glycolipid beta-1,4-galactosyltransferase and N-acetyllactosamine synthase, plays a crucial role in the synthesis of complex-type N-linked oligosaccharides in glycoproteins and glycolipids. This enzyme's activity is pivotal in the formation of carbohydrate moieties, essential for cell-cell recognition, signaling, and adhesion processes.

Therapeutic significance:

Understanding the role of Beta-1,4-galactosyltransferase 3 could open doors to potential therapeutic strategies. Its involvement in the synthesis of glycoproteins and glycolipids suggests a fundamental role in cellular functions, which, if modulated, could offer new avenues for treating diseases linked to glycosylation disorders.