Focused On-demand Library for Atypical kinase COQ8A, mitochondrial

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.

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 our associate Reaxense.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

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.