Focused On-demand Library for ATP synthase protein 8

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P03928

UPID:
ATP8_HUMAN

ALTERNATIVE NAMES:
A6L; F-ATPase subunit 8

ALTERNATIVE UPACC:
P03928; Q34771

BACKGROUND:
The ATP synthase protein 8, known alternatively as A6L or F-ATPase subunit 8, is integral to ATP production in mitochondria. It forms part of the F(0) domain of Complex V, facilitating ATP synthesis by coupling proton translocation to catalysis through a rotary mechanism. This subunit's function underscores the complexity and precision of cellular energy mechanisms.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of ATP synthase protein 8 could open doors to potential therapeutic strategies. Its involvement in diseases such as mitochondrial complex V deficiency and infantile hypertrophic cardiomyopathy underscores its potential as a target for therapeutic intervention, offering hope for advancements in treating these challenging conditions.

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