Focused On-demand Library for Atypical kinase COQ8B, 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q96D53

UPID:

COQ8B_HUMAN

Alternative names:

AarF domain-containing protein kinase 4; Coenzyme Q protein 8B

Alternative UPACC:

Q96D53; Q8TAJ1; Q9HA52

Background:

Atypical kinase COQ8B, mitochondrial, also known as AarF domain-containing protein kinase 4 and Coenzyme Q protein 8B, plays a crucial role in the biosynthesis of coenzyme Q. This essential lipid-soluble electron transporter is vital for aerobic cellular respiration. Despite its classification as a kinase, COQ8B does not exhibit traditional protein kinase activity, suggesting a unique function possibly as a lipid kinase within the ubiquinone biosynthesis pathway. Additionally, it is indispensable for podocyte migration, highlighting its significance in cellular processes.

Therapeutic significance:

Nephrotic syndrome 9, a renal disease marked by severe proteinuria and progressive renal failure, is directly linked to mutations affecting COQ8B. Understanding the role of Atypical kinase COQ8B could open doors to potential therapeutic strategies, offering hope for targeted interventions in nephrotic syndrome and possibly other related renal disorders.