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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
O14830
UPID:
PPE2_HUMAN
Alternative names:
-
Alternative UPACC:
O14830; O14831
Background:
Serine/threonine-protein phosphatase with EF-hands 2, encoded by the gene O14830, is implicated in crucial cellular processes such as phototransduction, where it may dephosphorylate photoactivated rhodopsin. Its potential to function as a calcium sensing regulator highlights its importance in maintaining ionic currents, energy production, and synaptic transmission.
Therapeutic significance:
Understanding the role of Serine/threonine-protein phosphatase with EF-hands 2 could open doors to potential therapeutic strategies. Its involvement in key physiological processes makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits.