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 our partner 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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial 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.