Focused On-demand Library for Carbohydrate sulfotransferase 4

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q8NCG5

UPID:

CHST4_HUMAN

Alternative names:

Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 3; High endothelial cells N-acetylglucosamine 6-O-sulfotransferase; L-selectin ligand sulfotransferase; N-acetylglucosamine 6-O-sulfotransferase 2

Alternative UPACC:

Q8NCG5; Q8IV46; Q9Y5R3

Background:

Carbohydrate sulfotransferase 4 plays a pivotal role in the SELL/L-selectin ligand biosynthesis pathway. It is responsible for the sulfation of O-linked glycans, crucial for lymphocyte homing and immune surveillance. Known alternatively as Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 3, this enzyme facilitates the generation of sialyl 6-sulfo Lewis X, a determinant for SELL recognition.

Therapeutic significance:

Understanding the role of Carbohydrate sulfotransferase 4 could open doors to potential therapeutic strategies.