AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

O43181

UPID:

NDUS4_HUMAN

Alternative names:

Complex I-18 kDa; Complex I-AQDQ; NADH-ubiquinone oxidoreductase 18 kDa subunit

Alternative UPACC:

O43181; Q9BS69

Background:

NADH dehydrogenase [ubiquinone] iron-sulfur protein 4, mitochondrial, also known as Complex I-18 kDa, Complex I-AQDQ, or NADH-ubiquinone oxidoreductase 18 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 being 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 1. This condition manifests in a spectrum from lethal neonatal disease to adult-onset neurodegenerative disorders, including Leigh syndrome and some forms of Parkinson disease. Understanding the role of this protein could open doors to potential therapeutic strategies for these conditions.

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