AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Nicotinamide riboside kinase 1

Available from Reaxense
Predicted by Alphafold

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.

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 our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening 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.

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

Q9NWW6

UPID:

NRK1_HUMAN

Alternative names:

Nicotinic acid riboside kinase 1; Ribosylnicotinamide kinase 1; Ribosylnicotinic acid kinase 1

Alternative UPACC:

Q9NWW6; Q5W124; Q8N430

Background:

Nicotinamide riboside kinase 1, also known as Ribosylnicotinamide kinase 1 or Ribosylnicotinic acid kinase 1, plays a crucial role in cellular metabolism. It catalyzes the phosphorylation of nicotinamide riboside (NR) and nicotinic acid riboside (NaR) into nicotinamide mononucleotide (NMN) and nicotinic acid mononucleotide (NaMN), respectively. This enzyme is also capable of phosphorylating antitumor drugs like tiazofurin and 3-deazaguanosine.

Therapeutic significance:

Understanding the role of Nicotinamide riboside kinase 1 could open doors to potential therapeutic strategies. Its ability to phosphorylate key molecules in cellular metabolism and antitumor drugs highlights its potential in drug discovery and cancer therapy.

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