Effect-directed discovery of bioactive compounds followed by highly targeted characterization, isolation and identification, exemplarily shown for Solidago virgaurea. Móricz, Á. M., Ott, P. G., Häbe, T. T., Darcsi, A., Böszörmenyi, A., Alberti, Á., Kruzselyi, D., Csontos, P., Béni, S., & Morlock, G. E. Analytical Chemistry, July, 2016.
Effect-directed discovery of bioactive compounds followed by highly targeted characterization, isolation and identification, exemplarily shown for Solidago virgaurea [link]Paper  doi  abstract   bibtex   
A non-targeted, effect-directed screening (bioprofiling) and a subsequent highly targeted characterization of antibacterial compounds from plant matrices is demonstrated on the example of Solidago virgaurea root extracts. The procedure comprises high-performance thin-layer chromatography (HPTLC) coupled with six bacterial bioassays including two plant pathogens, a radical scavenging assay, an acetylcholinesterase assay as well as in situ and ex situ mass spectrometric analyses. In situ mass spectra were directly recorded from the adsorbent using the Direct Analysis in Real Time interface (HPTLC-DART-MS), whereas ex situ mass spectra were recorded using an elution head-based interface (HPTLC-ESI-MS). For further bioassay-guided isolation of the main antimicrobial compounds, flash chromatographic fractionation and semi-preparative high-performance liquid chromatographic purification were used and nuclear magnetic resonance data allowed the identification of the unknown antimicrobial compounds as 2Z,8Z- and 2E,8Z-matricaria esters. The discovered antibacterial activity was confirmed and specified by a luminometric assay and as minimal inhibitory concentration in the liquid phase.
@article{moricz_effect-directed_2016,
	title = {Effect-directed discovery of bioactive compounds followed by highly targeted characterization, isolation and identification, exemplarily shown for {Solidago} virgaurea},
	issn = {0003-2700, 1520-6882},
	url = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b02007},
	doi = {10.1021/acs.analchem.6b02007},
	abstract = {A non-targeted, effect-directed screening (bioprofiling) and a subsequent highly targeted characterization of antibacterial compounds from plant matrices is demonstrated on the example of Solidago virgaurea root extracts. The procedure comprises high-performance thin-layer chromatography (HPTLC) coupled with six bacterial bioassays including two plant pathogens, a radical scavenging assay, an acetylcholinesterase assay as well as in situ and ex situ mass spectrometric analyses. In situ mass spectra were directly recorded from the adsorbent using the Direct Analysis in Real Time interface (HPTLC-DART-MS), whereas ex situ mass spectra were recorded using an elution head-based interface (HPTLC-ESI-MS). For further bioassay-guided isolation of the main antimicrobial compounds, flash chromatographic fractionation and semi-preparative high-performance liquid chromatographic purification were used and nuclear magnetic resonance data allowed the identification of the unknown antimicrobial compounds as 2Z,8Z- and 2E,8Z-matricaria esters. The discovered antibacterial activity was confirmed and specified by a luminometric assay and as minimal inhibitory concentration in the liquid phase.},
	language = {en},
	urldate = {2016-07-26TZ},
	journal = {Analytical Chemistry},
	author = {Móricz, Ágnes M. and Ott, Péter G. and Häbe, Tim T. and Darcsi, András and Böszörmenyi, Andrea and Alberti, Ágnes and Kruzselyi, Daniel and Csontos, Péter and Béni, Szabolcs and Morlock, Gertrud Elisabeth},
	month = jul,
	year = {2016}
}
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