Focused On-demand Library for NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2

Focused On-demand Libraries - Receptor.AI 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 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 Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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
Receptor.AI
 
UPACC
Q8N183

UPID:
NDUF2_HUMAN

ALTERNATIVE NAMES:
B17.2-like; Mimitin; Myc-induced mitochondrial protein; NDUFA12-like protein

ALTERNATIVE UPACC:
Q8N183; A8K5I1

BACKGROUND:
The protein NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2, known by alternative names such as B17.2-like and Mimitin, is integral to mitochondrial health. It serves as a molecular chaperone, essential for the assembly of mitochondrial complex I, a key player in oxidative phosphorylation by transferring electrons from NADH to ubiquinone in the respiratory chain.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2 could open doors to potential therapeutic strategies. Its association with mitochondrial complex I deficiency, nuclear type 10, underscores its therapeutic relevance, offering a promising avenue for addressing a range of mitochondrial disorders.

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