Focused On-demand Library for Sodium/potassium-transporting ATPase subunit alpha-3

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

P13637

UPID:

AT1A3_HUMAN

Alternative names:

Na(+)/K(+) ATPase alpha(III) subunit; Sodium pump subunit alpha-3

Alternative UPACC:

P13637; B7Z2T0; B7Z401; F5H6J6; Q16732; Q16735; Q969K5

Background:

Sodium/potassium-transporting ATPase subunit alpha-3, also known as Na(+)/K(+) ATPase alpha(III) subunit or Sodium pump subunit alpha-3, plays a pivotal role 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.

Therapeutic significance:

The protein is implicated in several neurological disorders, such as Dystonia 12, Alternating hemiplegia of childhood 2, Cerebellar ataxia, areflexia, pes cavus, optic atrophy, and sensorineural hearing loss, and Developmental and epileptic encephalopathy 99. These associations highlight its potential as a target for therapeutic intervention in these conditions.