Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q5FYA8
UPID:
ARSH_HUMAN
Alternative names:
-
Alternative UPACC:
Q5FYA8
Background:
Arylsulfatase H, encoded by the gene symbol Q5FYA8, plays a crucial role in the breakdown of sulfate esters, a process vital for cellular metabolism and detoxification. Its precise mechanisms and substrates in human physiology remain an area of active research, highlighting its potential importance in biochemical pathways.
Therapeutic significance:
Understanding the role of Arylsulfatase H could open doors to potential therapeutic strategies. Its involvement in sulfate ester metabolism suggests a possible link to disorders of sulfatase deficiency, although direct connections await further scientific exploration.