Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Our top-notch dedicated system is used to design specialised 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P04180
UPID:
LCAT_HUMAN
Alternative names:
1-alkyl-2-acetylglycerophosphocholine esterase; Lecithin-cholesterol acyltransferase; Phospholipid-cholesterol acyltransferase; Platelet-activating factor acetylhydrolase
Alternative UPACC:
P04180; Q53XQ3
Background:
Phosphatidylcholine-sterol acyltransferase, also known as Lecithin-cholesterol acyltransferase, plays a pivotal role in lipoprotein metabolism. It is synthesized mainly in the liver, facilitating the conversion of cholesterol and phosphatidylcholines to cholesteryl esters on lipoproteins, crucial for cholesterol transport back to the liver. This enzyme also influences cerebral spinal fluid levels of APOE and APOA1, contributing to the maturation of glial-derived lipoproteins.
Therapeutic significance:
Mutations in this enzyme lead to disorders like Lecithin-cholesterol acyltransferase deficiency and Fish-eye disease, characterized by abnormal cholesterol esterification, corneal opacities, and renal failure. Understanding its role could unveil new therapeutic strategies for these lipid metabolism disorders.