AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

We use our state-of-the-art dedicated workflow for designing focused 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.

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

Reaxense

upacc

O75348

UPID:

VATG1_HUMAN

Alternative names:

V-ATPase 13 kDa subunit 1; Vacuolar proton pump subunit G 1; Vacuolar proton pump subunit M16

Alternative UPACC:

O75348; Q6IB33

Background:

The V-type proton ATPase subunit G 1, also known as V-ATPase 13 kDa subunit 1, plays a crucial role in cellular processes by being part of the V1 complex of vacuolar(H+)-ATPase. This enzyme complex is pivotal for acidifying intracellular compartments and the extracellular environment in certain cell types, facilitating vital functions such as nutrient processing and waste removal. Additionally, it participates in intracellular iron homeostasis under aerobic conditions, influencing the activity of Fe(2+) prolyl hydroxylase enzymes and the stability of HIF1A.

Therapeutic significance:

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

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