Focused On-demand Library for Cytochrome c oxidase subunit 4 isoform 2, mitochondrial

Details

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.


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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q96KJ9

UPID:
COX42_HUMAN

ALTERNATIVE NAMES:
Cytochrome c oxidase subunit IV isoform 2

ALTERNATIVE UPACC:
Q96KJ9; Q6GTF4; Q9H0Z4

BACKGROUND:
The Cytochrome c oxidase subunit 4 isoform 2, mitochondrial, known alternatively as Cytochrome c oxidase subunit IV isoform 2, is a critical component of the mitochondrial electron transport chain. It catalyzes the reduction of oxygen to water, a key step in oxidative phosphorylation. This process is vital for ATP synthesis, supporting the cell's energy demands. The protein's role in electron transfer and its participation in creating an electrochemical gradient essential for ATP production highlight its fundamental importance in cellular respiration.

THERAPEUTIC SIGNIFICANCE:
The exploration of Cytochrome c oxidase subunit 4 isoform 2, mitochondrial's function offers promising pathways for drug discovery. Given its association with Exocrine pancreatic insufficiency dyserythropoietic anemia and calvarial hyperostosis, targeting this protein could lead to innovative treatments for these conditions. The potential to modulate its activity opens up exciting possibilities for therapeutic intervention, underscoring the importance of continued research in this area.

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