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.
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.
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 stands out due to several important features:
partner
Reaxense
upacc
Q6XZB0
UPID:
LIPI_HUMAN
Alternative names:
Cancer/testis antigen 17; LPD lipase; Membrane-associated phosphatidic acid-selective phospholipase A1-beta
Alternative UPACC:
Q6XZB0; G1JSG3; G1JSG4; G1JSG5; G1JSG6; G1JSG7; G1JSG8; G1JSG9
Background:
Lipase member I, also known as Cancer/testis antigen 17, LPD lipase, and Membrane-associated phosphatidic acid-selective phospholipase A1-beta, plays a crucial role in lipid metabolism. It specifically hydrolyzes phosphatidic acid (PA) to produce lysophosphatidic acid (LPA) and fatty acid, without affecting other phospholipids or triacylglycerol. LPA is a potent bioactive lipid mediator, indicating the enzyme's significant role in cellular signaling and homeostasis.
Therapeutic significance:
Understanding the role of Lipase member I could open doors to potential therapeutic strategies. Its unique specificity for phosphatidic acid and the production of bioactive LPA highlight its potential as a target in disorders related to lipid metabolism and signaling.