Focused On-demand Library for NADH-ubiquinone oxidoreductase chain 5

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
P03915

UPID:
NU5M_HUMAN

ALTERNATIVE NAMES:
NADH dehydrogenase subunit 5

ALTERNATIVE UPACC:
P03915; Q34773; Q8WCY3

BACKGROUND:
The essential function of NADH-ubiquinone oxidoreductase chain 5 in the mitochondrial respiratory chain underscores its importance in bioenergetics. By catalyzing the transfer of electrons in the respiratory chain, it is indispensable for the assembly and catalytic activity of Complex I, which is vital for ATP production in cells.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of NADH-ubiquinone oxidoreductase chain 5 could open doors to potential therapeutic strategies. Its involvement in diseases such as Leber hereditary optic neuropathy, Leigh syndrome, and Mitochondrial encephalomyopathy with lactic acidosis and stroke-like episodes syndrome presents a compelling case for its study in the context of drug discovery and development.

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