Focused On-demand Library for Cytochrome c oxidase subunit 6A1, 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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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 screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P12074

UPID:
CX6A1_HUMAN

ALTERNATIVE NAMES:
Cytochrome c oxidase polypeptide VIa-liver; Cytochrome c oxidase subunit VIA-liver

ALTERNATIVE UPACC:
P12074; B2R500; O43714; Q32Q37

BACKGROUND:
The Cytochrome c oxidase subunit 6A1, a key component of the mitochondrial respiratory chain, is crucial for the catalysis of oxygen to water. This process is vital for ATP synthesis, underscoring the protein's fundamental role in cellular energy production. Known alternatively as Cytochrome c oxidase polypeptide VIa-liver, this protein's activity supports the electron transport chain by facilitating electron transfer, essential for maintaining cellular function and viability.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Cytochrome c oxidase subunit 6A1 could open doors to potential therapeutic strategies. Its involvement in Charcot-Marie-Tooth disease, recessive intermediate D, highlights the protein's significance in peripheral neuropathies. Investigating the molecular mechanisms underlying this association may provide insights into novel treatment avenues, offering hope for patients suffering from this debilitating condition.

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