Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P30041
UPID:
PRDX6_HUMAN
Alternative names:
1-Cys peroxiredoxin; 24 kDa protein; Acidic calcium-independent phospholipase A2; Antioxidant protein 2; Glutathione-dependent peroxiredoxin; Liver 2D page spot 40; Lysophosphatidylcholine acyltransferase 5; Non-selenium glutathione peroxidase; Red blood cells page spot 12
Alternative UPACC:
P30041; A8JZY7; P32077; Q5TAH4; Q5ZEZ8
Background:
Peroxiredoxin-6, known for its diverse roles including thiol-specific peroxidase activity, plays a crucial part in reducing hydrogen peroxide and organic hydroperoxides. This protein, also recognized by names such as Antioxidant protein 2 and Lysophosphatidylcholine acyltransferase 5, exhibits phospholipase activity, contributing to phospholipid homeostasis and cell protection against oxidative stress.
Therapeutic significance:
Understanding the role of Peroxiredoxin-6 could open doors to potential therapeutic strategies.