Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide 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

P17568

UPID:

NDUB7_HUMAN

Alternative names:

Cell adhesion protein SQM1; Complex I-B18; NADH-ubiquinone oxidoreductase B18 subunit

Alternative UPACC:

P17568; Q6ICN9; Q9UI16

Background:

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7, also known as Complex I-B18, plays a pivotal role in cellular energy production. As an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), it facilitates the transfer of electrons from NADH to the respiratory chain, with ubiquinone being the immediate electron acceptor.

Therapeutic significance:

Linked to Mitochondrial complex I deficiency, nuclear type 39, a condition with a spectrum of clinical manifestations including cardiomyopathy and neurodegenerative disorders, this protein's study is crucial. Understanding its function could lead to novel therapeutic strategies for these mitochondrial disorders.