Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q16795

UPID:

NDUA9_HUMAN

Alternative names:

Complex I-39kD; NADH-ubiquinone oxidoreductase 39 kDa subunit

Alternative UPACC:

Q16795; Q14076; Q2NKX0

Background:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial, also known as Complex I-39kD or NADH-ubiquinone oxidoreductase 39 kDa subunit, plays a crucial role in cellular energy production. It serves as an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), essential for proper complex I assembly and electron transfer from NADH to the respiratory chain, with ubiquinone as the immediate electron acceptor.

Therapeutic significance:

The protein is implicated in Mitochondrial complex I deficiency, nuclear type 26, a condition with autosomal recessive inheritance affecting 1 in 5-10000 live births, leading to a spectrum of disorders from lethal neonatal disease to adult-onset neurodegenerative disorders. Understanding the role of this protein could open doors to potential therapeutic strategies for these conditions.