AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Protein SCO2 homolog, 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.

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 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 employ our advanced, specialised process to create targeted libraries.

 Fig. 1. The sreening 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O43819

UPID:

SCO2_HUMAN

Alternative names:

-

Alternative UPACC:

O43819; Q3T1B5; Q9UK87

Background:

The Protein SCO2 homolog, mitochondrial, plays a pivotal role in cellular energy production. It acts as a copper metallochaperone, crucial for the synthesis and maturation of cytochrome c oxidase subunit II, a key component of the mitochondrial respiratory chain. Additionally, it serves as a thiol-disulfide oxidoreductase, maintaining the redox state of cysteines during the maturation process.

Therapeutic significance:

Linked to severe mitochondrial disorders like Mitochondrial complex IV deficiency, nuclear type 2, and vision impairment condition Myopia 6, understanding the role of Protein SCO2 homolog could open doors to potential therapeutic strategies. Its involvement in critical mitochondrial functions makes it a target for addressing mitochondrial dysfunctions and related diseases.

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