Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q9NPI5

UPID:
NRK2_HUMAN

ALTERNATIVE NAMES:
Integrin beta-1-binding protein 3; Muscle integrin-binding protein; Nicotinic acid riboside kinase 2; Ribosylnicotinamide kinase 2; Ribosylnicotinic acid kinase 2

ALTERNATIVE UPACC:
Q9NPI5; B7ZKR3; Q52M81; Q9NZK3

BACKGROUND:
Nicotinamide riboside kinase 2, also known as Integrin beta-1-binding protein 3 or Muscle integrin-binding protein, is crucial for the phosphorylation of nicotinamide riboside and nicotinic acid riboside. This enzyme's activity is essential for the production of NMN and NaMN, compounds vital for cellular energy metabolism. Additionally, NRK2 modulates cell adhesion properties and plays a significant role in muscle cell differentiation and the regulation of PXN, a key factor in cell signaling.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Nicotinamide riboside kinase 2 offers a promising pathway to identifying novel therapeutic approaches.

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