Focused On-demand Library for Arginine-hydroxylase NDUFAF5, mitochondrial

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.

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 employ our advanced, specialised process to create targeted 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

Q5TEU4

UPID:

NDUF5_HUMAN

Alternative names:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 5; Putative methyltransferase NDUFAF5

Alternative UPACC:

Q5TEU4; A8K166; Q6GPH3; Q9H6F4

Background:

Arginine-hydroxylase NDUFAF5, mitochondrial, also known as NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 5, plays a crucial role in the assembly of mitochondrial NADH:ubiquinone oxidoreductase complex (complex I, MT-ND1). It functions early in the assembly process, specifically mediating the hydroxylation of 'Arg-111' of NDUFS7, which is essential for complex I assembly. This protein may also exhibit methyltransferase activity.

Therapeutic significance:

Mitochondrial complex I deficiency, nuclear type 16, a condition linked to variants affecting the NDUFAF5 gene, highlights the protein's critical role in mitochondrial disorders. These disorders range from lethal neonatal diseases to adult-onset neurodegenerative disorders, including Leigh syndrome and some forms of Parkinson disease. Understanding the role of Arginine-hydroxylase NDUFAF5 could open doors to potential therapeutic strategies for these conditions.