Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our top-notch dedicated system is used to design specialised 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O75828
UPID:
CBR3_HUMAN
Alternative names:
NADPH-dependent carbonyl reductase 3; Quinone reductase CBR3; Short chain dehydrogenase/reductase family 21C member 2
Alternative UPACC:
O75828; Q6FHP2
Background:
Carbonyl reductase [NADPH] 3, also known as NADPH-dependent carbonyl reductase 3 and Quinone reductase CBR3, plays a crucial role in the NADPH-dependent reduction of carbonyl compounds to their corresponding alcohols. It exhibits activity towards several orthoquinones and non-quinone compounds, including the anticancer drug oracin. Its best substrates include 1,2-naphthoquinone, highlighting its potential role in protecting against the cytotoxicity of exogenous quinones.
Therapeutic significance:
Understanding the role of Carbonyl reductase [NADPH] 3 could open doors to potential therapeutic strategies.