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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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
Q7L5N7
UPID:
PCAT2_HUMAN
Alternative names:
1-acylglycerol-3-phosphate O-acyltransferase 11; 1-acylglycerophosphocholine O-acyltransferase; 1-alkenylglycerophosphocholine O-acyltransferase; 1-alkylglycerophosphocholine O-acetyltransferase; Acetyl-CoA:lyso-platelet-activating factor acetyltransferase; Acyltransferase-like 1; Lysophosphatidic acid acyltransferase alpha
Alternative UPACC:
Q7L5N7; A3KBM1; Q6MZJ6; Q9NX23
Background:
Lysophosphatidylcholine acyltransferase 2 (LPCAT2) is a versatile enzyme with key roles in cellular lipid metabolism, including acyltransferase and acetyltransferase activities. It is crucial in the biosynthesis of phosphatidylcholine, a major component of cell membranes, and in the production of platelet-activating factor, a mediator of inflammation. LPCAT2's ability to modulate the balance between different lipid species underlies its importance in maintaining cellular homeostasis.
Therapeutic significance:
Understanding the role of Lysophosphatidylcholine acyltransferase 2 could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and inflammatory response highlights its potential as a target in treating diseases related to lipid dysregulation and inflammation.