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 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
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
Q15166
UPID:
PON3_HUMAN
Alternative names:
-
Alternative UPACC:
Q15166; A4D1H8; O75855; O76060; Q6IRU9; Q8IX97; Q9BZH9
Background:
Serum paraoxonase/lactonase 3, encoded by the gene with accession number Q15166, exhibits enzymatic activity towards a variety of substrates, including organophosphates and aromatic carboxylic acid esters. It is particularly effective in hydrolyzing lactones, such as those found in statin prodrugs like lovastatin, as well as aromatic lactones and certain ring lactones with aliphatic substituents.
Therapeutic significance:
Understanding the role of Serum paraoxonase/lactonase 3 could open doors to potential therapeutic strategies. Its ability to hydrolyze various lactones, including statin prodrugs, suggests a potential role in modulating drug efficacy and metabolism, which could be pivotal in the development of treatments for cardiovascular diseases and beyond.