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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q13733
UPID:
AT1A4_HUMAN
Alternative names:
Sodium pump subunit alpha-4
Alternative UPACC:
Q13733; Q504T2; Q7Z4I9; Q8TBN8; Q8WXA7; Q8WXH7; Q8WY13
Background:
The Sodium/potassium-transporting ATPase subunit alpha-4, also known as Sodium pump subunit alpha-4, is pivotal in maintaining the electrochemical gradient of sodium and potassium ions across the plasma membrane. This gradient is essential for various cellular processes, including nutrient transport and sperm motility.
Therapeutic significance:
Understanding the role of Sodium/potassium-transporting ATPase subunit alpha-4 could open doors to potential therapeutic strategies.