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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library stands out due to several important features:
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.