Focused On-demand Library for NADH-ubiquinone oxidoreductase chain 2

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P03891

UPID:

NU2M_HUMAN

Alternative names:

NADH dehydrogenase subunit 2

Alternative UPACC:

P03891; Q34769; Q9TGI0; Q9TGI1; Q9TGI2; Q9TGI3; Q9TGI4

Background:

NADH-ubiquinone oxidoreductase chain 2, also known as NADH dehydrogenase subunit 2, is a core component of the mitochondrial membrane respiratory chain Complex I. It plays a crucial role in electron transfer from NADH to ubiquinone, facilitating the essential process of ATP production through oxidative phosphorylation. This protein's function is vital for the catalytic activity and assembly of Complex I, underscoring its importance in cellular energy metabolism.

Therapeutic significance:

The protein is implicated in several mitochondrial diseases, including Leber hereditary optic neuropathy, Alzheimer disease mitochondrial, and Leigh syndrome. These conditions highlight the protein's critical role in maintaining mitochondrial function and integrity. Understanding the role of NADH-ubiquinone oxidoreductase chain 2 could open doors to potential therapeutic strategies for these debilitating diseases, offering hope for targeted treatments.