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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P15586
UPID:
GNS_HUMAN
Alternative names:
Glucosamine-6-sulfatase
Alternative UPACC:
P15586; B4DYH8; Q53F05
Background:
N-acetylglucosamine-6-sulfatase, also known as Glucosamine-6-sulfatase, plays a crucial role in the lysosomal degradation of heparan sulfate. This enzyme's activity is essential for the normal turnover of glycosaminoglycans in the body.
Therapeutic significance:
Mutations in N-acetylglucosamine-6-sulfatase are directly linked to Mucopolysaccharidosis 3D, a severe neurological disorder. Understanding the enzyme's function could lead to breakthrough therapies for this debilitating disease.