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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
We employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q08257
UPID:
QOR_HUMAN
Alternative names:
NADPH:quinone reductase; Zeta-crystallin
Alternative UPACC:
Q08257; A6NN60; D3DQ76; Q53FT0; Q59EU7; Q5HYE7; Q6NSK9
Background:
Quinone oxidoreductase, also known as NADPH:quinone reductase or Zeta-crystallin, plays a crucial role in cellular defense mechanisms. It binds NADP and facilitates the detoxification of xenobiotics through a one-electron transfer process, with orthoquinones being its preferred substrates. Additionally, it interacts with AU-rich elements in the 3'-UTR of target mRNA species, notably enhancing the stability of mRNA coding for BCL2, a key protein in apoptosis regulation.
Therapeutic significance:
Understanding the role of Quinone oxidoreductase could open doors to potential therapeutic strategies. Its involvement in detoxification and mRNA stability suggests its potential in targeting diseases related to oxidative stress and apoptosis dysregulation.