Focused On-demand Library for Carbohydrate sulfotransferase 2

Details

Focused On-demand Libraries - Receptor.AI 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.


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 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 top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
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:
The enzyme Carbohydrate sulfotransferase 2, known alternatively as N-acetylglucosamine 6-O-sulfotransferase 1, is integral to the formation of keratan-like structures on N-linked glycans. By transferring sulfate to GlcNAc residues, it facilitates the creation of sialyl 6-sulfo Lewis X, a SELL ligand essential for lymphocyte homing in Peyer patches. This specificity towards terminal GlcNAc residues highlights its unique role in glycan modification.

THERAPEUTIC SIGNIFICANCE:
The exploration of Carbohydrate sulfotransferase 2's function offers promising avenues for therapeutic intervention. Given its critical role in immune cell trafficking and inflammation, targeting this protein could lead to innovative treatments for autoimmune diseases and inflammatory conditions.

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