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

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

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

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.