AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for NADH-ubiquinone oxidoreductase chain 6

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.

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.

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 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.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P03923

UPID:

NU6M_HUMAN

Alternative names:

NADH dehydrogenase subunit 6

Alternative UPACC:

P03923; Q34774; Q8HG30

Background:

NADH-ubiquinone oxidoreductase chain 6, also known as NADH dehydrogenase subunit 6, plays a pivotal role in cellular energy production. As a core component of the mitochondrial membrane respiratory chain Complex I, it facilitates the transfer of electrons from NADH to ubiquinone, a critical step in the mitochondrial respiratory chain that drives ATP synthesis.

Therapeutic significance:

The protein's involvement in diseases such as Leber hereditary optic neuropathy, mitochondrial encephalomyopathy with lactic acidosis and stroke-like episodes syndrome, and Leigh syndrome underscores its clinical importance. These conditions, linked to mutations affecting the protein, highlight the potential of targeting NADH-ubiquinone oxidoreductase chain 6 in therapeutic strategies aimed at mitigating mitochondrial dysfunction.

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.