Focused On-demand Library for Carbohydrate sulfotransferase 2

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9Y4C5

UPID:

CHST2_HUMAN

Alternative names:

Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 2; N-acetylglucosamine 6-O-sulfotransferase 1

Alternative UPACC:

Q9Y4C5; D3DNG5; Q2M370; Q9GZN5; Q9UED5; Q9Y6F2

Background:

Carbohydrate sulfotransferase 2, also known as Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 2, plays a pivotal role in the biosynthesis of SELL ligands. These ligands are crucial for lymphocyte homing at inflammation sites, indicating the protein's significant role in immune response and inflammation regulation. It specifically sulfates GlcNAc residues, impacting the structure and function of N-linked glycans and mucin-associated glycans.

Therapeutic significance:

Understanding the role of Carbohydrate sulfotransferase 2 could open doors to potential therapeutic strategies. Its involvement in the biosynthesis of SELL ligands and lymphocyte homing underscores its potential as a target in treating inflammatory diseases and modulating immune responses.