Focused On-demand Library for Sodium/hydrogen exchanger 3

Focused On-demand Libraries - Receptor.AI Collaboration


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. 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.


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


 

Fig. 1. The screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P48764

UPID:
SL9A3_HUMAN

ALTERNATIVE NAMES:
Na(+)/H(+) exchanger 3; Solute carrier family 9 member 3

ALTERNATIVE UPACC:
P48764; B7ZKR2; E9PF67; Q3MIW3

BACKGROUND:
The Sodium/hydrogen exchanger 3, known alternatively as Na(+)/H(+) exchanger 3 or Solute carrier family 9 member 3, plays a critical role in the body's fluid and pH balance. By exchanging intracellular hydrogen ions for extracellular sodium ions, it is essential for salt and fluid absorption, as well as pH regulation. Its primary function in the kidney and intestine is crucial for sodium absorption and blood pressure management.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Diarrhea 8, secretory sodium, congenital, a condition characterized by prenatal onset of watery diarrhea and sodium imbalance, the study of Sodium/hydrogen exchanger 3 opens doors to potential therapeutic strategies. Targeting its genetic variants could lead to innovative treatments for affected individuals.

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