Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 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
O75715
UPID:
GPX5_HUMAN
Alternative names:
Epididymis-specific glutathione peroxidase-like protein; Glutathione peroxidase 5
Alternative UPACC:
O75715; A1A4Y0
Background:
The Epididymal secretory glutathione peroxidase, also known as Glutathione peroxidase 5, plays a crucial role in protecting cells from oxidative damage. It achieves this by catalyzing the reduction of various peroxides, including hydrogen peroxide and lipid peroxides, utilizing glutathione. This enzyme is particularly significant in safeguarding sperm membrane lipids from peroxide-induced damage, indicating its vital role in reproductive biology.
Therapeutic significance:
Understanding the role of Epididymal secretory glutathione peroxidase could open doors to potential therapeutic strategies. Its protective mechanism against oxidative stress in sperm membranes suggests its potential in addressing fertility issues and improving reproductive health.