NMR of natural products as potential drugs

Poul Erik Hansen*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review


This review outlines methods to investigate the structure of natural products with emphasis on intramolecular hydrogen bonding, tautomerism and ionic structures using NMR techniques. The focus is on 1H chemical shifts, isotope effects on chemical shifts and diffusion ordered spectroscopy. In addition, density functional theory calculations are performed to support NMR results. The review demonstrates how hydrogen bonding may lead to specific structures and how chemical equilibria, as well as tautomeric equilibria and ionic structures, can be detected. All these features are important for biological activity and a prerequisite for correct docking experiments and future use as drugs.

Original languageEnglish
Article number3763
Issue number12
Publication statusPublished - 2 Jun 2021


  • Biological effects
  • DFT calculations
  • Hydrogen bonding
  • Isotope effects on chemical shifts
  • Natural products
  • Tautomerism

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