Focused On-demand Library for Na(+)/H(+) exchange regulatory cofactor NHE-RF1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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.

We employ our advanced, specialised process to create targeted 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

O14745

UPID:

NHRF1_HUMAN

Alternative names:

Ezrin-radixin-moesin-binding phosphoprotein 50; Regulatory cofactor of Na(+)/H(+) exchanger; Sodium-hydrogen exchanger regulatory factor 1; Solute carrier family 9 isoform A3 regulatory factor 1

Alternative UPACC:

O14745; B3KY21; O43552; Q86WQ5

Background:

Na(+)/H(+) exchange regulatory cofactor NHE-RF1, also known as Ezrin-radixin-moesin-binding phosphoprotein 50, plays a pivotal role in cellular processes by linking plasma membrane proteins to the actin cytoskeleton. It is involved in the regulation of several ion transporters and channels, including SLC9A3, and enhances Wnt signaling. Its role extends to the regulation of phosphate reabsorption in the kidneys and is crucial in sperm capacitation.

Therapeutic significance:

Given its involvement in Nephrolithiasis/osteoporosis, hypophosphatemic, 2, a disease characterized by renal phosphate wasting and osteoporosis, targeting NHE-RF1 presents a promising therapeutic strategy. Understanding the role of NHE-RF1 could open doors to potential therapeutic strategies for managing this condition and improving patient outcomes.