Focused On-demand Library for Nocturnin

Details

Focused On-demand Libraries - Receptor.AI 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.


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.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


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
Q9UK39

UPID:
NOCT_HUMAN

ALTERNATIVE NAMES:
Carbon catabolite repression 4-like protein

ALTERNATIVE UPACC:
Q9UK39; D3DNY5; Q14D51; Q9HD93; Q9HD94; Q9HD95

BACKGROUND:
The Nocturnin protein, alternatively named Carbon catabolite repression 4-like protein, is integral to the body's metabolic and circadian regulation. It facilitates the conversion of NADP(+) to NAD(+) and NADPH to NADH, showing a preference for NADPH. Nocturnin's role extends to the post-transcriptional regulation of genes critical for metabolism, ensuring their expression follows circadian rhythms. This regulation impacts key metabolic functions, including insulin sensitivity and inflammation. Notably, Nocturnin also plays a crucial role in determining the fate of precursor cells towards fat cells or bone cells.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Nocturnin offers a pathway to novel therapeutic approaches. Given its central role in metabolic regulation and its impact on the differentiation of cells into adipocytes or osteoblasts, targeting Nocturnin could lead to breakthroughs in the treatment of metabolic diseases and disorders related to bone density.

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