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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O60346
UPID:
PHLP1_HUMAN
Alternative names:
Pleckstrin homology domain-containing family E member 1; Suprachiasmatic nucleus circadian oscillatory protein
Alternative UPACC:
O60346; A1A4F5; Q641Q7; Q6P4C4; Q6PJI6; Q86TN6; Q96FK2; Q9NUY1
Background:
PH domain leucine-rich repeat-containing protein phosphatase 1, also known as Pleckstrin homology domain-containing family E member 1 and Suprachiasmatic nucleus circadian oscillatory protein, plays a pivotal role in cellular processes. It regulates Akt and PKC signaling through dephosphorylation, influencing cell survival, apoptosis, and tumor suppression. Its involvement extends to memory formation and circadian rhythm regulation.
Therapeutic significance:
Understanding the role of PH domain leucine-rich repeat-containing protein phosphatase 1 could open doors to potential therapeutic strategies.