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

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

Fig. 1. The sreening 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.

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

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.