Focused On-demand Library for NADH-ubiquinone oxidoreductase chain 4

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

P03905

UPID:

NU4M_HUMAN

Alternative names:

NADH dehydrogenase subunit 4

Alternative UPACC:

P03905; Q6RL39; Q6RQN9; Q8HNR8

Background:

NADH-ubiquinone oxidoreductase chain 4, also known as NADH dehydrogenase subunit 4, plays a pivotal role in cellular energy production. It is a core component of the mitochondrial membrane respiratory chain Complex I, essential for electron transfer from NADH to ubiquinone, facilitating ATP synthesis.

Therapeutic significance:

This protein's malfunction is linked to severe mitochondrial disorders, including Leber hereditary optic neuropathy and mitochondrial encephalomyopathy. Understanding its function could lead to breakthroughs in treating these energy-production-related diseases.