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.
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 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.
We employ our advanced, specialised process to create 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96MI6
UPID:
PPM1M_HUMAN
Alternative names:
Protein phosphatase 2C isoform eta
Alternative UPACC:
Q96MI6; B7XGB9; F8W976; Q8N8J9; Q96DB8
Background:
Protein phosphatase 1M, also known as Protein phosphatase 2C isoform eta, plays a crucial role in cellular processes through its involvement in the dephosphorylation of various proteins. This enzyme's specificity and regulatory mechanisms are subjects of ongoing research, highlighting its potential impact on cellular signaling pathways.
Therapeutic significance:
Understanding the role of Protein phosphatase 1M could open doors to potential therapeutic strategies. Its involvement in key cellular processes makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits.