Focused On-demand Library for V-type proton ATPase 116 kDa subunit a 3

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13488

UPID:

VPP3_HUMAN

Alternative names:

Osteoclastic proton pump 116 kDa subunit; T-cell immune regulator 1; T-cell immune response cDNA7 protein; Vacuolar proton translocating ATPase 116 kDa subunit a isoform 3

Alternative UPACC:

Q13488; O75877; Q8WVC5

Background:

V-type proton ATPase 116 kDa subunit a 3, also known as Osteoclastic proton pump 116 kDa subunit, plays a pivotal role in acidifying intracellular compartments and the extracellular environment in certain cell types. This protein is a part of the V0 complex of the vacuolar(H+)-ATPase (V-ATPase) enzyme, crucial for hydrolyzing ATP and translocating protons. Its involvement in T-cell activation underscores its significance in immune response regulation.

Therapeutic significance:

The protein's link to Osteopetrosis, autosomal recessive 1, a genetic disease characterized by dense bone and bone marrow failure, highlights its therapeutic potential. Targeting this protein could lead to innovative treatments for osteopetrosis by correcting defective bone resorption processes.