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.
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 our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P52849
UPID:
NDST2_HUMAN
Alternative names:
Glucosaminyl N-deacetylase/N-sulfotransferase 2; N-heparan sulfate sulfotransferase 2
Alternative UPACC:
P52849; Q2TB32; Q59H89
Background:
Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 2, also known as Glucosaminyl N-deacetylase/N-sulfotransferase 2 and N-heparan sulfate sulfotransferase 2, encoded by the gene with accession number P52849, plays a pivotal role in the modification of the glycosaminoglycan in heparan sulfate. This enzyme is crucial for the biosynthesis of heparin, catalyzing both the N-deacetylation and N-sulfation of glucosamine, which leads to the formation of N-sulfated heparosan, a necessary substrate for further modifications.
Therapeutic significance:
Understanding the role of Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 2 could open doors to potential therapeutic strategies.