Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 our partner 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P52848
UPID:
NDST1_HUMAN
Alternative names:
Glucosaminyl N-deacetylase/N-sulfotransferase 1; N-heparan sulfate sulfotransferase 1; [Heparan sulfate]-glucosamine N-sulfotransferase 1
Alternative UPACC:
P52848; B7Z1Q0; E7EVJ3; Q96E57
Background:
Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1, also known as Glucosaminyl N-deacetylase/N-sulfotransferase 1, plays a pivotal role in the modification of the glycosaminoglycan in heparan sulfate. This enzyme is crucial for the biosynthesis of heparan sulfate, influencing its sulfation pattern and extent, which is essential for various biological processes including inflammatory response.
Therapeutic significance:
The enzyme's association with Intellectual developmental disorder, autosomal recessive 46, underscores its therapeutic significance. Understanding its role could lead to novel interventions for this disorder, highlighting the enzyme's potential in targeted therapy development.