Focused On-demand Library for Heparan sulfate glucosamine 3-O-sulfotransferase 6

Details

Focused On-demand Libraries - Receptor.AI 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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 use our state-of-the-art dedicated workflow for designing 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.


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
Q96QI5

UPID:
HS3S6_HUMAN

ALTERNATIVE NAMES:
Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 6

ALTERNATIVE UPACC:
Q96QI5; Q96RX7

BACKGROUND:
The enzyme Heparan sulfate glucosamine 3-O-sulfotransferase 6 is pivotal in the post-translational modification of heparan sulfate, facilitating the entry of HSV-1 by creating a specific binding receptor. This process underscores the enzyme's critical role in viral infection mechanisms.

THERAPEUTIC SIGNIFICANCE:
Given its direct link to Hereditary Angioedema 8, exploring Heparan sulfate glucosamine 3-O-sulfotransferase 6's function offers a promising avenue for developing novel treatments for this and potentially other related disorders. Understanding the role of this protein could open doors to potential therapeutic strategies.

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