Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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.
We employ our advanced, specialised process to create 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
Q8NEB5
UPID:
PLPP5_HUMAN
Alternative names:
Phosphatidic acid phosphatase type 2 domain-containing protein 1B
Alternative UPACC:
Q8NEB5; C9JKF5; Q3KQX6; Q9BY45
Background:
Phospholipid phosphatase 5, also known as Phosphatidic acid phosphatase type 2 domain-containing protein 1B, plays a crucial role in lipid metabolism. It exhibits a magnesium-independent phospholipid phosphatase activity, with a broad substrate specificity. This enzyme is pivotal in converting diacylglycerol pyrophosphate into phosphatidate, alongside acting on phosphatidate and lysophosphatidate, thereby participating in both lipid synthesis and the modulation of lipid-signaling molecules.
Therapeutic significance:
Understanding the role of Phospholipid phosphatase 5 could open doors to potential therapeutic strategies.