Focused On-demand Library for Polypeptide N-acetylgalactosaminyltransferase 12

Focused On-demand Libraries - Reaxense 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8IXK2

UPID:

GLT12_HUMAN

Alternative names:

Polypeptide GalNAc transferase 12; Protein-UDP acetylgalactosaminyltransferase 12; UDP-GalNAc:polypeptide N-acetylgalactosaminyltransferase 12

Alternative UPACC:

Q8IXK2; Q5TCF7; Q8NG54; Q96CT9; Q9H771

Background:

Polypeptide N-acetylgalactosaminyltransferase 12, also known as GALNT12, plays a pivotal role in the biosynthesis of mucin-type oligosaccharides in digestive organs. It catalyzes the transfer of N-acetyl-D-galactosamine to serine or threonine residues on protein receptors, crucial for the initial step of mucin-type oligosaccharide biosynthesis. GALNT12 shows specificity towards non-glycosylated peptides, indicating its selective role in cellular processes.

Therapeutic significance:

GALNT12's involvement in colorectal cancer underscores its potential as a therapeutic target. Although its role in cancer susceptibility is debated, understanding GALNT12's function could lead to novel strategies for colorectal cancer prevention and treatment, highlighting the importance of further research in this area.