Focused On-demand Library for Carbohydrate sulfotransferase 8

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 screening 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.


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
Receptor.AI
 
UPACC
Q9H2A9

UPID:
CHST8_HUMAN

ALTERNATIVE NAMES:
GalNAc-4-O-sulfotransferase 1; N-acetylgalactosamine-4-O-sulfotransferase 1

ALTERNATIVE UPACC:
Q9H2A9; Q9H3N2

BACKGROUND:
The enzyme Carbohydrate sulfotransferase 8, known for its alternative name N-acetylgalactosamine-4-O-sulfotransferase 1, is essential in the biosynthesis of glycoprotein hormones. Its activity is pivotal for the sulfation of carbohydrate structures in hormones, influencing their stability and function.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the development of Peeling skin syndrome 3, a disorder affecting the skin's outer layers, Carbohydrate sulfotransferase 8 represents a promising target for therapeutic intervention. Exploring its function further could lead to novel treatments for this and related conditions.

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