AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

O43678

UPID:

NDUA2_HUMAN

Alternative names:

Complex I-B8; NADH-ubiquinone oxidoreductase B8 subunit

Alternative UPACC:

O43678; D6RJD6; Q6IAY8

Background:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2, also known as Complex I-B8 or NADH-ubiquinone oxidoreductase B8 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:

The protein is implicated in Mitochondrial complex I deficiency, nuclear type 13, a condition with autosomal recessive inheritance affecting 1 in 5-10000 live births. This disease manifests in various severities, from lethal neonatal disease to adult-onset neurodegenerative disorders. Understanding the role of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 2 could open doors to potential therapeutic strategies for these conditions.

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