AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cytochrome c oxidase subunit 8A, mitochondrial

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.

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 our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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.

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

P10176

UPID:

COX8A_HUMAN

Alternative names:

Cytochrome c oxidase polypeptide VIII-liver/heart; Cytochrome c oxidase subunit 8-2

Alternative UPACC:

P10176; P15955

Background:

Cytochrome c oxidase subunit 8A, mitochondrial, also known as Cytochrome c oxidase polypeptide VIII-liver/heart or Cytochrome c oxidase subunit 8-2, plays a pivotal role in the mitochondrial electron transport chain. It is integral to the process of oxidative phosphorylation, facilitating the reduction of oxygen to water and thereby driving ATP synthesis. This protein is a component of cytochrome c oxidase, the last enzyme in the chain, crucial for energy production in cells.

Therapeutic significance:

The protein's association with Mitochondrial complex IV deficiency, nuclear type 15, a disorder marked by developmental delays, metabolic acidosis, and respiratory complex IV activity reduction, underscores its therapeutic significance. Understanding the role of Cytochrome c oxidase subunit 8A could open doors to potential therapeutic strategies for mitochondrial disorders.

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