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.
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 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 use our state-of-the-art dedicated workflow for designing 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8WUX2
UPID:
CHAC2_HUMAN
Alternative names:
Cation transport regulator-like protein 2
Alternative UPACC:
Q8WUX2; Q8WVI8
Background:
Glutathione-specific gamma-glutamylcyclotransferase 2, also known as Cation transport regulator-like protein 2, plays a crucial role in cellular processes by catalyzing the cleavage of glutathione into 5-oxo-L-proline and a Cys-Gly dipeptide. This enzyme's specificity for glutathione, a vital antioxidant, underscores its importance in maintaining cellular redox balance and detoxification.
Therapeutic significance:
Understanding the role of Glutathione-specific gamma-glutamylcyclotransferase 2 could open doors to potential therapeutic strategies. Its pivotal function in glutathione metabolism suggests its potential involvement in conditions related to oxidative stress and cellular detoxification processes.