AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Group IIE secretory phospholipase A2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.

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