Focused On-demand Library for V-type proton ATPase 116 kDa subunit a 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9HBG4

UPID:

VPP4_HUMAN

Alternative names:

Vacuolar proton translocating ATPase 116 kDa subunit a isoform 4; Vacuolar proton translocating ATPase 116 kDa subunit a kidney isoform

Alternative UPACC:

Q9HBG4; A4D1R4; A8KA80; Q32M47

Background:

The V-type proton ATPase 116 kDa subunit a 4, also known as Vacuolar proton translocating ATPase 116 kDa subunit a isoform 4, plays a pivotal role in acidifying intracellular compartments and the extracellular environment in certain cell types. This protein is integral to the V0 complex of the vacuolar(H+)-ATPase (V-ATPase) enzyme, which is essential for proton translocation and ATP hydrolysis.

Therapeutic significance:

Mutations in this protein are linked to Renal tubular acidosis, distal, 3, with or without sensorineural hearing loss, a condition characterized by the kidney's inability to acidify urine. Understanding the role of V-type proton ATPase 116 kDa subunit a 4 could open doors to potential therapeutic strategies for managing this disease.