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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P48637
UPID:
GSHB_HUMAN
Alternative names:
Glutathione synthase
Alternative UPACC:
P48637; B2R697; B6F210; E1P5P9; Q4TTD9
Background:
Glutathione synthetase, encoded by the gene with accession number P48637, plays a pivotal role in cellular defense mechanisms. It catalyzes the synthesis of glutathione, a crucial antioxidant that protects cells from oxidative damage, supports amino acid transport, detoxifies foreign substances, maintains protein sulfhydryl groups, and serves as an enzyme cofactor. This protein's activity is essential for maintaining cellular health and homeostasis.
Therapeutic significance:
Glutathione synthetase deficiency, including its severe form leading to increased hemolysis and central nervous system dysfunction, and a milder form causing hemolytic anemia, underscores the protein's critical role in human health. Targeting the pathways involving glutathione synthetase could offer novel therapeutic strategies for these conditions.