Focused On-demand Library for Polypeptide N-acetylgalactosaminyltransferase 2

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.

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.

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

Reaxense

upacc

Q10471

UPID:

GALT2_HUMAN

Alternative names:

Polypeptide GalNAc transferase 2; Protein-UDP acetylgalactosaminyltransferase 2; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 2

Alternative UPACC:

Q10471; A8K1Y3; B7Z8V8; C5HU00; Q9NPY4

Background:

Polypeptide N-acetylgalactosaminyltransferase 2, also known as Polypeptide GalNAc transferase 2, plays a pivotal role in O-linked oligosaccharide biosynthesis. It catalyzes the transfer of N-acetyl-D-galactosamine to serine or threonine residues on proteins, affecting a wide range of substrates and participating in crucial biological processes.

Therapeutic significance:

The enzyme's involvement in Congenital disorder of glycosylation 2T, characterized by developmental delays, intellectual disability, and other severe symptoms, underscores its therapeutic potential. Targeting this enzyme could lead to novel treatments for this disorder and related glycosylation abnormalities.