Focused On-demand Library for 5-demethoxyubiquinone hydroxylase, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused 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.

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

Q99807

UPID:

COQ7_HUMAN

Alternative names:

Timing protein clk-1 homolog; Ubiquinone biosynthesis monooxygenase COQ7

Alternative UPACC:

Q99807; B2RDA9; Q9BTT7; Q9H0T5; Q9UEW5; Q9UNR5

Background:

5-demethoxyubiquinone hydroxylase, mitochondrial, also known as Timing protein clk-1 homolog and Ubiquinone biosynthesis monooxygenase COQ7, plays a crucial role in the biosynthesis of ubiquinone. It catalyzes the hydroxylation of specific substrates in the ubiquinone biosynthesis pathway and has a structural role in the COQ enzyme complex. Beyond its mitochondrial functions, COQ7 is involved in lifespan determination and modulating mitochondrial stress responses, potentially through nuclear actions affecting gene expression.

Therapeutic significance:

The protein's association with Coenzyme Q10 deficiency, primary, 8, a disorder stemming from mitochondrial dysfunction, highlights its therapeutic significance. Understanding the role of 5-demethoxyubiquinone hydroxylase could open doors to potential therapeutic strategies for treating mitochondrial diseases and conditions related to ubiquinone deficiency.