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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P54710
UPID:
ATNG_HUMAN
Alternative names:
FXYD domain-containing ion transport regulator 2; Sodium pump gamma chain
Alternative UPACC:
P54710; Q15332; Q53YC1; Q9GZP3; Q9GZQ7
Background:
The Sodium/potassium-transporting ATPase subunit gamma, also known as FXYD domain-containing ion transport regulator 2 or Sodium pump gamma chain, plays a crucial role in ion transport across the cell membrane. This protein may be pivotal in creating the receptor site for cardiac glycoside binding or may influence the transport function of the sodium ATPase.
Therapeutic significance:
Linked to Hypomagnesemia 2, a disorder characterized by primary renal magnesium wasting and hypocalciuria, this protein's genetic variants offer a direct pathway to understanding and potentially treating this condition. The exploration of Sodium/potassium-transporting ATPase subunit gamma's function and its mutations could lead to novel therapeutic strategies for electrolyte imbalance diseases.