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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create targeted 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 stands out due to several important features:
partner
Reaxense
upacc
P16152
UPID:
CBR1_HUMAN
Alternative names:
15-hydroxyprostaglandin dehydrogenase [NADP(+)]; 20-beta-hydroxysteroid dehydrogenase; Alcohol dehydrogenase [NAD(P)+] CBR1; NADPH-dependent carbonyl reductase 1; Prostaglandin 9-ketoreductase; Prostaglandin-E(2) 9-reductase; Short chain dehydrogenase/reductase family 21C member 1
Alternative UPACC:
P16152; B2RBZ7; B4DFK7; Q3LHW8
Background:
Carbonyl reductase [NADPH] 1, encoded by the gene with accession number P16152, exhibits a broad substrate specificity, catalyzing the reduction of various carbonyl compounds including quinones, prostaglandins, and xenobiotics. It plays a pivotal role in the metabolism of antitumor anthracyclines and the conversion of prostaglandin E to F2-alpha. This enzyme also participates in glucocorticoid metabolism, impacting adipose tissue functions.
Therapeutic significance:
Understanding the role of Carbonyl reductase [NADPH] 1 could open doors to potential therapeutic strategies. Its involvement in the metabolism of key biological compounds and drugs highlights its potential as a target for modulating disease processes and drug toxicity.