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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8NFU3
UPID:
TSTD1_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NFU3; Q5SY48; Q5SY49; Q5SY50; Q5SY51; Q8NFU2; Q9BV22
Background:
Thiosulfate:glutathione sulfurtransferase plays a pivotal role in hydrogen sulfide metabolism, linking the conversion of H(2)S to thiosulfate by sulfide:quinone oxidoreductase with the sulfur dioxygenase reaction. This enzyme is essential for producing S-sulfanylglutathione, a key intermediate in this metabolic pathway.
Therapeutic significance:
Understanding the role of Thiosulfate:glutathione sulfurtransferase could open doors to potential therapeutic strategies.