Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


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.


We utilise our cutting-edge, exclusive workflow to develop focused 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
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:
The enzyme Carbohydrate sulfotransferase 5, with alternative names such as Intestinal N-acetylglucosamine-6-O-sulfotransferase, is essential for the sulfation of glycoproteins. This post-translational modification is critical for the biological activity of many proteins, affecting cell-cell interactions, signal transduction, and pathogen recognition.

THERAPEUTIC SIGNIFICANCE:
Exploring the enzymatic pathways of Carbohydrate sulfotransferase 5 unveils potential avenues for drug discovery. Its role in the modification of glycoproteins highlights its importance in developing novel therapeutic interventions.

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