Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9P0J0

UPID:

NDUAD_HUMAN

Alternative names:

Cell death regulatory protein GRIM-19; Complex I-B16.6; Gene associated with retinoic and interferon-induced mortality 19 protein; NADH-ubiquinone oxidoreductase B16.6 subunit

Alternative UPACC:

Q9P0J0; B4DF76; K7EK58; Q6PKI0; Q9H2L3; Q9Y327

Background:

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13, also known as GRIM-19, plays a crucial role in the mitochondrial respiratory chain. It functions as an accessory subunit of Complex I, facilitating electron transfer from NADH to ubiquinone. Beyond its role in energy metabolism, GRIM-19 is involved in IFN/RA-induced cell death, regulation of STAT3 target genes, and may influence intestinal epithelial responses to microbes.

Therapeutic significance:

GRIM-19's association with Hurthle cell thyroid carcinoma and Mitochondrial complex I deficiency, nuclear type 28, underscores its potential as a target for therapeutic intervention. Understanding the role of GRIM-19 could open doors to potential therapeutic strategies.