Focused On-demand Library for Sodium/potassium-transporting ATPase subunit gamma

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.