AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cytochrome c oxidase assembly protein COX14

Available from Reaxense
Predicted by Alphafold

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.

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

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q96I36

UPID:

COX14_HUMAN

Alternative names:

-

Alternative UPACC:

Q96I36; B2R5G6

Background:

Cytochrome c oxidase assembly protein COX14 is a core component of the MITRAC complex, crucial for mitochondrial function. It plays a pivotal role in the assembly of cytochrome c oxidase, a key enzyme in the mitochondrial respiratory chain. This process is essential for the coordination of early steps of cytochrome c oxidase assembly with the synthesis of MT-CO1, highlighting its significance in cellular energy production.

Therapeutic significance:

Given its critical role in mitochondrial function, COX14 is linked to Mitochondrial complex IV deficiency, nuclear type 10, a severe disorder characterized by neurological, respiratory, and metabolic abnormalities leading to early infant death. Understanding the role of Cytochrome c oxidase assembly protein COX14 could open doors to potential therapeutic strategies for mitochondrial disorders.

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