Focused On-demand Library for Sodium/potassium/calcium exchanger 4

Focused On-demand Libraries - Receptor.AI 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 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q8NFF2

UPID:
NCKX4_HUMAN

ALTERNATIVE NAMES:
Na(+)/K(+)/Ca(2+)-exchange protein 4; Solute carrier family 24 member 4

ALTERNATIVE UPACC:
Q8NFF2; B4DHE7; B9ZVY2; Q8N8U6; Q8NCX1; Q8NFF0; Q8NFF1

BACKGROUND:
The Sodium/potassium/calcium exchanger 4, identified by its alternative names Na(+)/K(+)/Ca(2+)-exchange protein 4 and Solute carrier family 24 member 4, is pivotal in maintaining ion homeostasis. It exchanges 1 Ca(2+) and 1 K(+) for 4 Na(+), crucial for cell signaling and function. Its role extends to olfactory sensory neurons, where it ensures proper signal termination and adaptation, influencing odor encoding. The protein is also involved in amelogenesis, suggesting its importance in enamel development.

THERAPEUTIC SIGNIFICANCE:
Given its association with Amelogenesis imperfecta, hypomaturation type, 2A5, a disease marked by soft, discolored enamel, Sodium/potassium/calcium exchanger 4 presents a target for therapeutic intervention. Exploring its function further could lead to novel treatments for dental enamel defects, offering hope for affected individuals.

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