Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q8N183

UPID:

NDUF2_HUMAN

Alternative names:

B17.2-like; Mimitin; Myc-induced mitochondrial protein; NDUFA12-like protein

Alternative UPACC:

Q8N183; A8K5I1

Background:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2, also known as B17.2-like, Mimitin, Myc-induced mitochondrial protein, and NDUFA12-like protein, plays a crucial role in mitochondrial function. It acts as a molecular chaperone for mitochondrial complex I assembly, 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 complex I assembly, this protein's dysfunction is linked to mitochondrial complex I deficiency, nuclear type 10. This condition manifests in a spectrum of disorders, from lethal neonatal disease to adult-onset neurodegenerative disorders, highlighting the protein's potential as a target for therapeutic intervention.