Focused On-demand Library for V-type proton ATPase subunit e 1

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

O15342

UPID:

VA0E1_HUMAN

Alternative names:

V-ATPase 9.2 kDa membrane accessory protein; V-ATPase M9.2 subunit; Vacuolar proton pump subunit e 1

Alternative UPACC:

O15342; B2R557; D3DQM1; Q6IBE8

Background:

V-type proton ATPase subunit e 1, also known as V-ATPase 9.2 kDa membrane accessory protein, plays a crucial role in cellular processes by being a part of the V0 complex of vacuolar(H+)-ATPase. This enzyme is pivotal for acidifying and maintaining the pH of intracellular compartments. Its presence in certain cell types on the plasma membrane aids in acidifying the extracellular environment, showcasing its versatility.

Therapeutic significance:

Understanding the role of V-type proton ATPase subunit e 1 could open doors to potential therapeutic strategies.