Focused On-demand Library for Vacuolar protein sorting-associated protein VTA1 homolog

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.

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

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

Q9NP79

UPID:

VTA1_HUMAN

Alternative names:

Dopamine-responsive gene 1 protein; LYST-interacting protein 5; SKD1-binding protein 1

Alternative UPACC:

Q9NP79; B4DW55; E1P594; E7ETQ7; Q5TGM1; Q6IAE8; Q9H0R2; Q9H3K9; Q9P0Q0

Background:

Vacuolar protein sorting-associated protein VTA1 homolog, also known as Dopamine-responsive gene 1 protein, LYST-interacting protein 5, and SKD1-binding protein 1, plays a crucial role in the endosomal multivesicular bodies (MVB) pathway. This pathway is essential for the degradation of membrane proteins, lysosomal enzymes, and lipids through the generation of intraluminal vesicles. VTA1 acts as a cofactor of VPS4A/B, facilitating the disassembly of membrane-associated ESCRT-III assemblies and is involved in the sorting and down-regulation of EGFR.

Therapeutic significance:

Understanding the role of Vacuolar protein sorting-associated protein VTA1 homolog could open doors to potential therapeutic strategies.