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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q9Y570
UPID:
PPME1_HUMAN
Alternative names:
-
Alternative UPACC:
Q9Y570; B3KMU6; B5MEE7; J3QT22; Q8WYG8; Q9NVT5; Q9UI18
Background:
Protein phosphatase methylesterase 1 (PPME1) plays a crucial role in cellular processes by demethylating proteins that have undergone reversible carboxymethylation. It specifically targets and demethylates PPP2CB and PPP2CA, key components in the protein phosphatase 2 (PP2A) complex, which is essential for cell cycle regulation, signal transduction, and other critical cellular activities. By binding to PPP2CA, PPME1 displaces the manganese ion, rendering the enzyme inactive.
Therapeutic significance:
Understanding the role of Protein phosphatase methylesterase 1 could open doors to potential therapeutic strategies. Its involvement in the regulation of PP2A, a complex pivotal to numerous cellular functions, highlights its potential as a target in diseases where PP2A activity is dysregulated.