Focused On-demand Library for Sodium/hydrogen exchanger 9B2

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q86UD5

UPID:

SL9B2_HUMAN

Alternative names:

Na(+)/H(+) exchanger NHA2; Na(+)/H(+) exchanger-like domain-containing protein 2; Sodium/hydrogen exchanger-like domain-containing protein 2; Solute carrier family 9 subfamily B member 2

Alternative UPACC:

Q86UD5; B5ME52; Q6ZMD8; Q96D95

Background:

The Sodium/hydrogen exchanger 9B2, also known as Na(+)/H(+) exchanger NHA2, plays a crucial role in maintaining intracellular pH and sodium homeostasis. It functions as an electroneutral Na(+) Li(+)/H(+) antiporter, facilitating the exchange of Na(+) or Li(+) for external protons across the membrane. This protein is vital for various physiological processes, including insulin secretion, sperm motility, and potentially blood pressure regulation.

Therapeutic significance:

Understanding the role of Sodium/hydrogen exchanger 9B2 could open doors to potential therapeutic strategies. Its involvement in key physiological processes such as insulin secretion and sodium homeostasis highlights its potential as a target for treating diabetes and disorders related to sodium imbalance.