Journal
MOLECULES
Volume 26, Issue 12, Pages -Publisher
MDPI
DOI: 10.3390/molecules26123763
Keywords
natural products; hydrogen bonding; isotope effects on chemical shifts; tautomerism; DFT calculations; biological effects
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This review highlights methods for investigating the structure of natural products, focusing on intramolecular hydrogen bonding, tautomerism, and ionic structures using NMR techniques. It emphasizes the importance of these features for biological activity and drug research.
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.
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