Focused On-demand Library for Sulfide:quinone oxidoreductase, mitochondrial

Focused On-demand Libraries - Receptor.AI 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.


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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
Q9Y6N5

UPID:
SQOR_HUMAN

ALTERNATIVE NAMES:
Sulfide dehydrogenase-like; Sulfide quinone oxidoreductase

ALTERNATIVE UPACC:
Q9Y6N5; Q9UQM8

BACKGROUND:
The mitochondrial protein Sulfide:quinone oxidoreductase, with aliases such as sulfide dehydrogenase-like, is pivotal in converting hydrogen sulfide using quinones. This process is essential for detoxifying hydrogen sulfide, producing thiosulfate and sulfane, with glutathione possibly serving as the electron acceptor in physiological conditions.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Sulfide:quinone oxidoreductase could open doors to potential therapeutic strategies, especially considering its involvement in Sulfide:quinone oxidoreductase deficiency. This condition varies from severe neurological manifestations to asymptomatic cases, underscoring the protein's therapeutic relevance.

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