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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q6IQ20
UPID:
NAPEP_HUMAN
Alternative names:
-
Alternative UPACC:
Q6IQ20; Q5CZ87; Q769K1
Background:
The N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D is a pivotal enzyme in lipid metabolism, catalyzing the hydrolysis of N-acyl-phosphatidylethanolamines to produce bioactive molecules. Its role in generating long-chain saturated and monounsaturated N-acylethanolamines in the brain underscores its importance in neural function and lipid homeostasis.
Therapeutic significance:
Understanding the role of N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and neuron survival, particularly through RAC1 activation, highlights its potential as a target in treating metabolic and neurodegenerative diseases.