Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q5VWZ2
UPID:
LYPL1_HUMAN
Alternative names:
-
Alternative UPACC:
Q5VWZ2; A8K677; Q5VWZ3; Q7Z4A3; Q96AV0
Background:
Lysophospholipase-like protein 1, encoded by the gene with accession number Q5VWZ2, exhibits unique enzymatic activity. It specifically demonstrates depalmitoylating activity towards KCNMA1, a critical potassium channel involved in various physiological processes. Unlike typical lipases, this protein does not show phospholipase or triacylglycerol lipase activity and is limited to hydrolyzing only short-chain substrates due to its shallow active site.
Therapeutic significance:
Understanding the role of Lysophospholipase-like protein 1 could open doors to potential therapeutic strategies. Its specific activity towards KCNMA1 suggests a nuanced role in cellular signaling and membrane dynamics, making it a compelling target for drug discovery efforts aimed at modulating potassium channel functions.