Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O14494
UPID:
PLPP1_HUMAN
Alternative names:
Lipid phosphate phosphohydrolase 1; PAP2-alpha; Phosphatidate phosphohydrolase type 2a; Phosphatidic acid phosphatase 2a
Alternative UPACC:
O14494; B7ZKN8; G3XA95; O60457; O60463; Q17RZ4
Background:
Phospholipid phosphatase 1, known by alternative names such as Lipid phosphate phosphohydrolase 1 and Phosphatidic acid phosphatase 2a, plays a crucial role in cellular processes by catalyzing the dephosphorylation of various lipid phosphate esters. This enzyme, identified by the accession number O14494, is pivotal in regulating signal transduction through its action on bioactive lipid mediators like phosphatidate and sphingosine 1-phosphate.
Therapeutic significance:
Understanding the role of Phospholipid phosphatase 1 could open doors to potential therapeutic strategies. Its involvement in key cellular processes such as inflammation, cell proliferation, and migration highlights its potential as a target for therapeutic intervention in diseases where these processes are dysregulated.