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.
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 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q96EG1
UPID:
ARSG_HUMAN
Alternative names:
N-sulfoglucosamine-3-sulfatase
Alternative UPACC:
Q96EG1; Q6UXF2; Q9Y2K4
Background:
Arylsulfatase G, also known as N-sulfoglucosamine-3-sulfatase, plays a crucial role in the degradation of glycosaminoglycans by displaying arylsulfatase activity. This enzyme operates optimally at acidic pH, targeting artificial substrates like p-nitrocatechol sulfate and, to a lesser extent, p-nitrophenyl sulfate and 4-methylumbelliferyl sulfate. It is pivotal in the hydrolysis of the 3-sulfate groups of the N-sulfo-D-glucosamine 3-O-sulfate units of heparin, indicating its significant biological function.
Therapeutic significance:
Arylsulfatase G's involvement in Usher syndrome 4, characterized by late-onset retinitis pigmentosa and progressive sensorineural hearing loss, underscores its therapeutic potential. Understanding the role of Arylsulfatase G could open doors to potential therapeutic strategies for treating or managing this autosomal recessive disorder.