Focused On-demand Library for Vacuolar ATPase assembly integral membrane protein VMA21

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.

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 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q3ZAQ7

UPID:

VMA21_HUMAN

Alternative names:

Myopathy with excessive autophagy protein

Alternative UPACC:

Q3ZAQ7; A6NKV7; B3KUA9

Background:

Vacuolar ATPase assembly integral membrane protein VMA21, also known as Myopathy with excessive autophagy protein, plays a crucial role in the assembly of the V0 complex of the vacuolar ATPase (V-ATPase) in the endoplasmic reticulum. This protein is pivotal for cellular processes involving acidification and ion homeostasis.

Therapeutic significance:

VMA21 deficiency is linked to Myopathy, X-linked, with excessive autophagy, a muscle disorder marked by early onset muscle weakness and abnormal autophagic activity in skeletal muscle cells. Understanding the role of VMA21 could open doors to potential therapeutic strategies for this condition.