Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.
Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13162
UPID:
PRDX4_HUMAN
Alternative names:
Antioxidant enzyme AOE372; Peroxiredoxin IV; Thioredoxin peroxidase AO372; Thioredoxin-dependent peroxide reductase A0372; Thioredoxin-dependent peroxiredoxin 4
Alternative UPACC:
Q13162; Q6FHT3
Background:
Peroxiredoxin-4, also known as Antioxidant enzyme AOE372, plays a crucial role in cellular defense mechanisms. It catalyzes the reduction of hydrogen peroxide and organic hydroperoxides, thereby protecting cells from oxidative stress. This enzyme is also involved in hydrogen peroxide-mediated signaling, influencing NF-kappa-B activation through the modulation of I-kappa-B-alpha phosphorylation.
Therapeutic significance:
Understanding the role of Peroxiredoxin-4 could open doors to potential therapeutic strategies. Its involvement in oxidative stress response and signaling pathways highlights its potential as a target for treating diseases where oxidative damage is a key factor.