AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

O96000

UPID:

NDUBA_HUMAN

Alternative names:

Complex I-PDSW; NADH-ubiquinone oxidoreductase PDSW subunit

Alternative UPACC:

O96000; Q96II6

Background:

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10, also known as Complex I-PDSW or NADH-ubiquinone oxidoreductase PDSW subunit, plays a crucial role in cellular energy production. It acts as an accessory subunit in the mitochondrial respiratory chain complex I, facilitating the transfer of electrons from NADH to the respiratory chain through its NADH dehydrogenase activity.

Therapeutic significance:

The protein is implicated in Mitochondrial complex I deficiency, nuclear type 35, a condition with autosomal recessive inheritance. This disease 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 in mitochondrial disorders.

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