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

Focused On-demand Libraries - Receptor.AI 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.


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


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 screening 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.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
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:
The protein V-type proton ATPase 116 kDa subunit a 2, known alternatively as TJ6 and Vacuolar proton translocating ATPase 116 kDa subunit a isoform 2, is integral to maintaining cellular pH levels. It is involved in various cellular processes, including acidification of intracellular compartments, glycosylation, and iron metabolism. Its function is critical in the endosomal pH-sensing machinery and Golgi apparatus operations.

THERAPEUTIC SIGNIFICANCE:
Given its association with diseases such as Cutis laxa, autosomal recessive, 2A, and Wrinkly skin syndrome, V-type proton ATPase 116 kDa subunit a 2 represents a significant target for therapeutic intervention. Exploring its mechanisms offers a promising avenue for developing novel treatments for these conditions.

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