Focused On-demand Library for Carbohydrate sulfotransferase 5

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

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

Q9GZS9

UPID:

CHST5_HUMAN

Alternative names:

Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 4-alpha; Intestinal N-acetylglucosamine-6-O-sulfotransferase; N-acetylglucosamine 6-O-sulfotransferase 3

Alternative UPACC:

Q9GZS9; B2RV23; Q7LCN3; Q9UBY3

Background:

Carbohydrate sulfotransferase 5, also known as Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 4-alpha, plays a crucial role in catalyzing the transfer of sulfate to specific sugar residues. This enzyme's activity is pivotal in modifying the chemical properties of mucins and other glycoproteins, influencing their function in cellular communication and molecular recognition processes.

Therapeutic significance:

Understanding the role of Carbohydrate sulfotransferase 5 could open doors to potential therapeutic strategies. Its precise function in sulfation processes suggests its involvement in cellular mechanisms that could be targeted in various diseases.