NMR Structure Elucidation of Naphthoquinones from Quambalaria cyanescens
Jazyk angličtina Země Spojené státy americké Médium print-electronic
Typ dokumentu časopisecké články, práce podpořená grantem
- MeSH
- antiinfekční látky chemie izolace a purifikace farmakologie MeSH
- Basidiomycota chemie MeSH
- magnetická rezonanční spektroskopie MeSH
- magnetická rezonanční tomografie MeSH
- molekulární struktura MeSH
- naftochinony chemie izolace a purifikace farmakologie MeSH
- protinádorové látky chemie izolace a purifikace farmakologie MeSH
- vodíková vazba MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- antiinfekční látky MeSH
- naftochinony MeSH
- protinádorové látky MeSH
Naphthoquinones isolated from Quambalaria cyanescens (quambalarines) are natural pigments possessing significant cytotoxic and antimicrobial properties. Determining the structure of naphthoquinone compounds is important for the understanding of their biological activities and the informed synthesis of related analogues. Identifying quambalarines is challenging, because they contain a hydroxylated naphthoquinone scaffold and have limited solubility. Here, we report a detailed structural study of quambalarine derivatives, which form strong intramolecular hydrogen bonds (IMHBs) that enable the formation of several tautomers; these tautomers may complicate structural investigation due to their fast interconversion. To investigate tautomeric equilibria and identify new quambalarines, we complemented the experimental NMR spectroscopy data with density functional theory (DFT) calculations.
Faculty of Science Charles University Hlavova 2030 8 128 43 Prague Czech Republic
Institute of Microbiology Czech Academy of Sciences Vídeňská 1083 142 20 Prague Czech Republic
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