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.
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.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P04054
UPID:
PA21B_HUMAN
Alternative names:
Group IB phospholipase A2; Phosphatidylcholine 2-acylhydrolase 1B
Alternative UPACC:
P04054; B2R4H5; Q3KPI1
Background:
Phospholipase A2, known as Group IB phospholipase A2 or Phosphatidylcholine 2-acylhydrolase 1B, plays a pivotal role in the intestinal tract by targeting dietary phospholipids. It exhibits a preference for phosphatidylethanolamines and phosphatidylglycerols, crucial for the biosynthesis of N-acyl ethanolamines, which regulate energy metabolism and inflammation. Additionally, its interaction with the PLA2R1 receptor influences podocyte survival and glomerular homeostasis, showcasing its systemic importance.
Therapeutic significance:
Understanding the role of Phospholipase A2 could open doors to potential therapeutic strategies, particularly in managing diseases related to energy metabolism, inflammation, and kidney function.