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:
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.