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.
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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9BYN0
UPID:
SRXN1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9BYN0; B2R543; Q8NDM3; Q96AK6
Background:
Sulfiredoxin-1 plays a crucial role in cellular defense against oxidative stress by restoring the activity of peroxiredoxins PRDX1, PRDX2, PRDX3, and PRDX4, which are inactivated upon oxidation. This protein specifically targets cysteine-sulfinic acid residues in these peroxiredoxins, facilitating their return to an active state, but does not interact with PRDX5 or PRDX6. Its ability to act as both a phosphotransferase and a thioltransferase in this reduction process underscores its unique enzymatic versatility.
Therapeutic significance:
Understanding the role of Sulfiredoxin-1 could open doors to potential therapeutic strategies. Its pivotal function in mitigating oxidative damage suggests that modulation of its activity could be beneficial in diseases where oxidative stress is a contributing factor.