AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

Our top-notch dedicated system is used to design specialised 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

P56556

UPID:

NDUA6_HUMAN

Alternative names:

Complex I-B14; LYR motif-containing protein 6; NADH-ubiquinone oxidoreductase B14 subunit

Alternative UPACC:

P56556; B2RE54; O43675; Q6FGW0; Q6IBT8; Q6IC39

Background:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6, also known as Complex I-B14, LYR motif-containing protein 6, and NADH-ubiquinone oxidoreductase B14 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), essential for proper complex I assembly and the transfer of electrons from NADH to the respiratory chain, with ubiquinone as the immediate electron acceptor.

Therapeutic significance:

The protein is implicated in Mitochondrial complex I deficiency, nuclear type 33, a condition with autosomal recessive inheritance affecting 1 in 5-10000 live births. This deficiency leads to a spectrum of disorders, including neurodegenerative diseases and cardiomyopathy. Understanding the role of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 6 could open doors to potential therapeutic strategies.

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