Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

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

Reaxense

upacc

O95169

UPID:

NDUB8_HUMAN

Alternative names:

Complex I-ASHI; NADH-ubiquinone oxidoreductase ASHI subunit

Alternative UPACC:

O95169; A8K0L4; Q5W143; Q5W144; Q5W145; Q9UG53; Q9UJR4; Q9UQF3

Background:

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial, also known as Complex I-ASHI or NADH-ubiquinone oxidoreductase ASHI subunit, plays a crucial role in cellular energy production. It is an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), essential for transferring electrons 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 32, a condition with autosomal recessive inheritance affecting 1 in 5-10000 live births. This disorder manifests in various severities, from lethal neonatal disease to adult-onset neurodegenerative disorders, highlighting the protein's potential as a target for therapeutic intervention.