Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our high-tech, dedicated method is applied to construct targeted 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
Q9BYP7
UPID:
WNK3_HUMAN
Alternative names:
Protein kinase lysine-deficient 3; Protein kinase with no lysine 3
Alternative UPACC:
Q9BYP7; B1AKG2; Q5JRC1; Q6JP76; Q8TCX6; Q9HCK6
Background:
Serine/threonine-protein kinase WNK3, also known as Protein kinase lysine-deficient 3, plays a pivotal role in electrolyte homeostasis and response to hyperosmotic stress. It acts as a molecular crowding sensor, facilitating the formation of a membraneless compartment that concentrates WNK3 with its substrates, thereby promoting phosphorylation and activation of downstream kinases and ion cotransporters. This regulation is crucial for maintaining cellular ion balance.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase WNK3 could open doors to potential therapeutic strategies.