Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, 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.

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.

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 utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

O95299

UPID:

NDUAA_HUMAN

Alternative names:

Complex I-42kD; NADH-ubiquinone oxidoreductase 42 kDa subunit

Alternative UPACC:

O95299; Q8WXC9

Background:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10, mitochondrial, also known as Complex I-42kD or NADH-ubiquinone oxidoreductase 42 kDa subunit, plays a crucial role in cellular energy production. It serves as an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), facilitating the transfer of electrons from NADH to the respiratory chain, with ubiquinone as the immediate electron acceptor.

Therapeutic significance:

Given its pivotal role in mitochondrial function, mutations affecting this protein are linked to Mitochondrial complex I deficiency, nuclear type 22, a condition with a spectrum of clinical manifestations including neurodegenerative disorders and cardiomyopathy. Understanding the role of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 10 could open doors to potential therapeutic strategies for these mitochondrial disorders.