Focused On-demand Library for V-type proton ATPase subunit B, kidney isoform

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

P15313

UPID:

VATB1_HUMAN

Alternative names:

Endomembrane proton pump 58 kDa subunit; Vacuolar proton pump subunit B 1

Alternative UPACC:

P15313; Q53FY0; Q6P4H6

Background:

The V-type proton ATPase subunit B, kidney isoform, is a pivotal component of the V1 complex of vacuolar(H+)-ATPase (V-ATPase). This enzyme plays a crucial role in acidifying intracellular compartments and, in certain cells, the extracellular environment. It is essential for the assembly and activity of V-ATPase, facilitating proton secretion in renal intercalated cells for urinary acidification and is vital for olfactory function.

Therapeutic significance:

Given its critical role in renal distal tubular acidosis with progressive sensorineural hearing loss, targeting the V-type proton ATPase subunit B, kidney isoform, presents a promising avenue for therapeutic intervention. Understanding its function and the genetic variants affecting it could lead to novel treatments for this autosomal recessive disease.