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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q9NWW6

UPID:
NRK1_HUMAN

ALTERNATIVE NAMES:
Nicotinic acid riboside kinase 1; Ribosylnicotinamide kinase 1; Ribosylnicotinic acid kinase 1

ALTERNATIVE UPACC:
Q9NWW6; Q5W124; Q8N430

BACKGROUND:
The enzyme Nicotinamide riboside kinase 1, with alternative names such as Ribosylnicotinamide kinase 1 and Ribosylnicotinic acid kinase 1, is pivotal in the biosynthesis of NAD+ precursors. It efficiently phosphorylates nicotinamide riboside (NR) and nicotinic acid riboside (NaR), producing NMN and NaMN. Furthermore, its activity extends to the phosphorylation of certain antitumor agents, indicating a broader biological significance.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Nicotinamide riboside kinase 1 offers promising avenues for therapeutic intervention. Its critical role in NAD+ biosynthesis and interaction with antitumor compounds underscores its importance in metabolic processes and oncology.

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