Focused On-demand Library for V-type proton ATPase 116 kDa subunit a 2

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.

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.

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

Q9Y487

UPID:

VPP2_HUMAN

Alternative names:

Lysosomal H(+)-transporting ATPase V0 subunit a 2; TJ6; Vacuolar proton translocating ATPase 116 kDa subunit a isoform 2

Alternative UPACC:

Q9Y487; A8K026; Q6NUM0

Background:

V-type proton ATPase 116 kDa subunit a 2, also known as Lysosomal H(+)-transporting ATPase V0 subunit a 2, plays a crucial role in acidifying intracellular compartments and the extracellular environment. This protein is a key component of the V-ATPase complex, essential for pH regulation and glycosylation processes. It also influences iron homeostasis and cellular response to oxygen levels, impacting HIF1A stability.

Therapeutic significance:

Linked to Cutis laxa, autosomal recessive, 2A, and Wrinkly skin syndrome, V-type proton ATPase 116 kDa subunit a 2's dysfunction elucidates its potential in targeted therapy for these genetic disorders. Understanding its role could pave the way for innovative treatments, emphasizing the importance of research in this area.