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.
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.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q86U10
UPID:
LPP60_HUMAN
Alternative names:
Lysophospholipase-transacylase
Alternative UPACC:
Q86U10; B9EGQ2; Q8IV80
Background:
The 60 kDa lysophospholipase, also known as Lysophospholipase-transacylase, plays a pivotal role in lipid metabolism. It exhibits a range of enzymatic activities, including lysophospholipase, transacylase, PAF acetylhydrolase, and asparaginase activities. This protein is capable of catalyzing various transacylation reactions that are crucial for the remodeling of phospholipids, a fundamental process for maintaining cell membrane integrity and signaling.
Therapeutic significance:
Understanding the role of 60 kDa lysophospholipase could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and cell membrane composition suggests its potential impact on diseases related to lipid dysregulation and membrane-associated disorders.