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

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P03923

UPID:
NU6M_HUMAN

ALTERNATIVE NAMES:
NADH dehydrogenase subunit 6

ALTERNATIVE UPACC:
P03923; Q34774; Q8HG30

BACKGROUND:
The essential function of NADH-ubiquinone oxidoreductase chain 6 in the mitochondrial respiratory chain underscores its significance in bioenergetics. By catalyzing electron transfer within Complex I, it plays a crucial role in maintaining cellular energy levels and supporting overall mitochondrial health.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of NADH-ubiquinone oxidoreductase chain 6 could open doors to potential therapeutic strategies. Given its association with several mitochondrial diseases, including Leber hereditary optic neuropathy and Leigh syndrome, research into this protein could lead to novel treatments for these debilitating conditions.

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