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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
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.