Focused On-demand Library for N-sulphoglucosamine sulphohydrolase

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused 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
P51688

UPID:
SPHM_HUMAN

ALTERNATIVE NAMES:
Sulfoglucosamine sulfamidase; Sulphamidase

ALTERNATIVE UPACC:
P51688; A8K5E2

BACKGROUND:
The enzyme N-sulphoglucosamine sulphohydrolase, known alternatively as sulfoglucosamine sulfamidase or sulphamidase, catalyzes a critical step in the lysosomal degradation pathway of heparan sulfate. Its function is essential for the proper breakdown of glycosaminoglycans, which are key components of the extracellular matrix and cell surface.

THERAPEUTIC SIGNIFICANCE:
Deficiencies in N-sulphoglucosamine sulphohydrolase activity lead to Mucopolysaccharidosis 3A, a condition characterized by severe central nervous system degeneration. Targeting this enzyme's pathway offers a promising avenue for developing treatments for MPS3A, highlighting the enzyme's therapeutic significance in combating lysosomal storage diseases.

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