AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop 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.

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

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:

Cytochrome c oxidase subunit 6A1, mitochondrial, also known as Cytochrome c oxidase polypeptide VIa-liver, plays a pivotal role in the mitochondrial electron transport chain. This enzyme is integral to the process of oxidative phosphorylation, facilitating the transfer of electrons from NADH and succinate to molecular oxygen. This action is crucial for the generation of ATP, the energy currency of the cell, highlighting the protein's essential role in cellular metabolism and energy production.

Therapeutic significance:

The association of Cytochrome c oxidase subunit 6A1 with Charcot-Marie-Tooth disease, recessive intermediate D, underscores its clinical relevance. This connection suggests that targeted research into this protein's function and pathological variants could yield novel therapeutic strategies for managing this peripheral nervous system disorder, characterized by muscle weakness and atrophy.

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