AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Atypical kinase COQ8A, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8NI60

UPID:

COQ8A_HUMAN

Alternative names:

Chaperone activity of bc1 complex-like; Coenzyme Q protein 8A; aarF domain-containing protein kinase 3

Alternative UPACC:

Q8NI60; Q5T7A5; Q63HK0; Q8NCJ6; Q9HBQ1; Q9NQ67

Background:

Atypical kinase COQ8A, mitochondrial, also known as Coenzyme Q protein 8A, plays a crucial role in the biosynthesis of coenzyme Q (ubiquinone). This lipid-soluble electron transporter is vital for aerobic cellular respiration. Despite its unclear substrate specificity, COQ8A does not exhibit traditional protein kinase activity but is suggested to act as a lipid kinase, phosphorylating a prenyl lipid in the ubiquinone biosynthesis pathway.

Therapeutic significance:

COQ8A is linked to Coenzyme Q10 deficiency, primary, 4, an autosomal recessive disorder characterized by cerebellar ataxia, exercise intolerance, and potential psychomotor retardation. Understanding the role of COQ8A could open doors to potential therapeutic strategies for this condition.

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