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.
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 top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8WUK0
UPID:
PTPM1_HUMAN
Alternative names:
PTEN-like phosphatase; Phosphoinositide lipid phosphatase; Protein-tyrosine phosphatase mitochondrial 1
Alternative UPACC:
Q8WUK0; E9PAT8; Q7Z557; Q96CR2; Q9BXV8
Background:
Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1, known by alternative names such as PTEN-like phosphatase and Phosphoinositide lipid phosphatase, plays a pivotal role in cellular processes. It dephosphorylates phosphatidylglycerophosphate to phosphatidylglycerol, an essential step in cardiolipin biosynthesis. This mitochondrial-specific phospholipid is crucial for maintaining membrane integrity and organelle activities. Additionally, it exhibits phosphatase activity towards phosphoproteins, significantly impacting ATP production and mitochondrial function.
Therapeutic significance:
Understanding the role of Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1 could open doors to potential therapeutic strategies.