Focused On-demand Library for Heparan sulfate glucosamine 3-O-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.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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.


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
Q9Y278

UPID:
HS3S2_HUMAN

ALTERNATIVE NAMES:
Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 2

ALTERNATIVE UPACC:
Q9Y278; Q52LZ1

BACKGROUND:
The enzyme Heparan sulfate glucosamine 3-O-sulfotransferase 2, also referred to as Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 2, is integral to the biosynthesis of heparan sulfate. It is responsible for the transfer of sulfo groups to specific sites on heparan sulfate chains, a critical step in the formation of this complex polysaccharide. Unlike its counterpart HS3ST1/3-OST-1, it does not contribute to the conversion of heparan sulfate into its anticoagulant form, indicating a unique specificity in its action.

THERAPEUTIC SIGNIFICANCE:
The exploration of Heparan sulfate glucosamine 3-O-sulfotransferase 2's function offers a promising avenue for drug discovery. Given its selective activity in heparan sulfate biosynthesis, targeting this enzyme could lead to novel approaches in modulating heparan sulfate's role in disease processes, thereby unveiling new therapeutic possibilities.

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