NMR of Natural Products as Potential Drugs
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 additio...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-06-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/26/12/3763 |
| _version_ | 1797529425555750912 |
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| author | Poul Erik Hansen |
| author_facet | Poul Erik Hansen |
| author_sort | Poul Erik Hansen |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T10:13:41Z |
| format | Article |
| id | doaj.art-662f9632038949d09b4ad8477bf9d7e7 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T10:13:41Z |
| publishDate | 2021-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-662f9632038949d09b4ad8477bf9d7e72023-11-22T00:59:15ZengMDPI AGMolecules1420-30492021-06-012612376310.3390/molecules26123763NMR of Natural Products as Potential DrugsPoul Erik Hansen0Department of Science and Environment, Roskilde University, Universitetsvej 1, DK-4000 Roskilde, DenmarkThis 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.https://www.mdpi.com/1420-3049/26/12/3763natural productshydrogen bondingisotope effects on chemical shiftstautomerismDFT calculationsbiological effects |
| spellingShingle | Poul Erik Hansen NMR of Natural Products as Potential Drugs Molecules natural products hydrogen bonding isotope effects on chemical shifts tautomerism DFT calculations biological effects |
| title | NMR of Natural Products as Potential Drugs |
| title_full | NMR of Natural Products as Potential Drugs |
| title_fullStr | NMR of Natural Products as Potential Drugs |
| title_full_unstemmed | NMR of Natural Products as Potential Drugs |
| title_short | NMR of Natural Products as Potential Drugs |
| title_sort | nmr of natural products as potential drugs |
| topic | natural products hydrogen bonding isotope effects on chemical shifts tautomerism DFT calculations biological effects |
| url | https://www.mdpi.com/1420-3049/26/12/3763 |
| work_keys_str_mv | AT poulerikhansen nmrofnaturalproductsaspotentialdrugs |