Focused On-demand Library for Group IIE secretory phospholipase A2

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9NZK7

UPID:

PA2GE_HUMAN

Alternative names:

Phosphatidylcholine 2-acylhydrolase 2E

Alternative UPACC:

Q9NZK7; Q5VXJ8

Background:

Group IIE secretory phospholipase A2, also known as Phosphatidylcholine 2-acylhydrolase 2E, plays a pivotal role in lipid metabolism. It targets extracellular phospholipids, releasing unsaturated fatty acids and lysophosphatidylethanolamines, crucial for cellular membrane remodeling and lipid mediator generation. This enzyme is instrumental in responding to high-fat diets, altering lipoprotein composition and fat storage, and contributes to pathogen clearance and inflammatory responses.

Therapeutic significance:

Understanding the role of Group IIE secretory phospholipase A2 could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and inflammatory response regulation highlights its potential as a target for treating metabolic disorders and inflammatory diseases.