AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Group IIF secretory phospholipase A2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9BZM2

UPID:

PA2GF_HUMAN

Alternative names:

Phosphatidylcholine 2-acylhydrolase 2F

Alternative UPACC:

Q9BZM2; Q5R385; Q8N217; Q9H506

Background:

Group IIF secretory phospholipase A2, also known as Phosphatidylcholine 2-acylhydrolase 2F, plays a pivotal role in the metabolism of extracellular phospholipids. It exhibits a preference for hydrolyzing phospholipids in a specific order, with phosphatidylglycerols being the most susceptible. This enzyme's activity is crucial for the release of arachidonic acid, a precursor for various lipid mediators involved in inflammation.

Therapeutic significance:

Understanding the role of Group IIF secretory phospholipase A2 could open doors to potential therapeutic strategies. Its involvement in arachidonic acid release highlights its significance in inflammatory conditions, suggesting that modulation of its activity could offer new avenues for treating inflammation-related diseases.

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