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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

Our top-notch dedicated system is used to design specialised 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

P15291

UPID:

B4GT1_HUMAN

Alternative names:

Beta-N-acetylglucosaminyl-glycolipid beta-1,4-galactosyltransferase; Beta-N-acetylglucosaminylglycopeptide beta-1,4-galactosyltransferase; Lactose synthase A protein; N-acetyllactosamine synthase; Nal synthase; Neolactotriaosylceramide beta-1,4-galactosyltransferase; UDP-Gal:beta-GlcNAc beta-1,4-galactosyltransferase 1; UDP-galactose:beta-N-acetylglucosamine beta-1,4-galactosyltransferase 1

Alternative UPACC:

P15291; B2R710; D3DRL2; Q12909; Q12910; Q12911; Q14456; Q14509; Q14523

Background:

Beta-1,4-galactosyltransferase 1, with alternative names such as Lactose synthase A protein and N-acetyllactosamine synthase, plays a pivotal role in glycoprotein biosynthesis. It catalyzes the production of lactose in the lactating mammary gland and is involved in the synthesis of complex-type N-linked oligosaccharides in glycoproteins and glycolipids. Additionally, its cell surface form is crucial for cell to cell and cell to matrix interactions during development and egg fertilization.

Therapeutic significance:

The protein's involvement in Congenital disorder of glycosylation 2D, a multisystem disorder, underscores its therapeutic significance. Understanding the role of Beta-1,4-galactosyltransferase 1 could open doors to potential therapeutic strategies for treating this disorder and improving patient outcomes.