AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NADH-ubiquinone oxidoreductase chain 2

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.

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 for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

P03891

UPID:

NU2M_HUMAN

Alternative names:

NADH dehydrogenase subunit 2

Alternative UPACC:

P03891; Q34769; Q9TGI0; Q9TGI1; Q9TGI2; Q9TGI3; Q9TGI4

Background:

NADH-ubiquinone oxidoreductase chain 2, also known as NADH dehydrogenase subunit 2, is a core component of the mitochondrial membrane respiratory chain Complex I. It plays a crucial role in electron transfer from NADH to ubiquinone, facilitating the essential process of ATP production through oxidative phosphorylation. This protein's function is vital for the catalytic activity and assembly of Complex I, underscoring its importance in cellular energy metabolism.

Therapeutic significance:

The protein is implicated in several mitochondrial diseases, including Leber hereditary optic neuropathy, Alzheimer disease mitochondrial, and Leigh syndrome. These conditions highlight the protein's critical role in maintaining mitochondrial function and integrity. Understanding the role of NADH-ubiquinone oxidoreductase chain 2 could open doors to potential therapeutic strategies for these debilitating diseases, offering hope for targeted treatments.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.