Focused On-demand Library for Carbohydrate sulfotransferase 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.

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.

Our high-tech, dedicated method is applied to construct 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

Q9NRB3

UPID:

CHSTC_HUMAN

Alternative names:

Chondroitin 4-O-sulfotransferase 2; Chondroitin 4-sulfotransferase 2; Sulfotransferase Hlo

Alternative UPACC:

Q9NRB3; A4D1Z9; Q502W3; Q9NXY7

Background:

Carbohydrate sulfotransferase 12, known by its alternative names Chondroitin 4-O-sulfotransferase 2 and Sulfotransferase Hlo, plays a crucial role in the biosynthesis of chondroitin sulfate. This enzyme catalyzes the transfer of sulfate to the N-acetylgalactosamine residue of chondroitin, a key component of cartilage and extracellular matrices. Its activity is essential for the proper formation of chondroitin sulfate, which is vital for cellular and tissue integrity.

Therapeutic significance:

Understanding the role of Carbohydrate sulfotransferase 12 could open doors to potential therapeutic strategies. Its pivotal function in the synthesis of chondroitin sulfate, a major proteoglycan in cartilage, highlights its potential as a target in addressing disorders related to cartilage degradation and extracellular matrix disorders.