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Notoginsenoside R1 (NG-R1) from Panax notoginseng undergoes extensive metabolism in rats, yielding 105 metabolites, including 89 novel ones. These metabolites show potential antitumor and anti-inflammatory activities, paving the way for future drug discovery.

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Area of Science:

  • Pharmacology and Pharmacokinetics
  • Natural Product Chemistry
  • Metabolomics

Background:

  • Notoginsenoside R1 (NG-R1), a key compound in Panax notoginseng, is a protopanaxatriol (PPT)-based saponin.
  • Understanding NG-R1's metabolic fate is crucial for its therapeutic applications.

Purpose of the Study:

  • To elucidate the in vivo metabolic profile and distribution of NG-R1 in rats.
  • To identify novel metabolites and characterize their metabolic pathways.
  • To predict potential pharmacological activities of NG-R1 metabolites.

Main Methods:

  • Ultra-High-Performance Liquid Chromatography-Electrospray Ionization-Quadrupole Time-of-Flight Mass Spectrometry (UHPLC-ESI-Q-TOF-MS/MS) for metabolite identification.
  • LC-MS data analysis for metabolite characterization.
  • PharmMapper and network pharmacology for activity prediction.
  • In vitro cellular experiments for activity verification.

Main Results:

  • 105 metabolites of NG-R1 were identified, with 89 being novel.
  • New metabolic reactions including polyhydroxylation, pentosylation, acetylation, glucuronidation, and amino acid conjugation were observed.
  • Metabolites were detected across various organs, with the highest concentrations in the large intestine.
  • 48 metabolites were predicted to be pharmacologically active, with verified antitumor and anti-inflammatory effects for eight compounds.

Conclusions:

  • NG-R1 undergoes extensive biotransformation in vivo, generating a diverse array of metabolites.
  • The study proposes a nomenclature for PPT ESI MS fragmentation pathways.
  • Identified metabolites and their predicted activities provide a foundation for future research into dammarane-type triterpenoids.