Statistical Correlations between HPLC Activity-Based Profiling Results and NMR/MS Microfraction Data to Deconvolute Bioactive Compounds in Mixtures

Bertrand, Samuel; Azzollini, Antonio; Nievergelt-Meier, Andreas; Boccard, Julien; Rudaz, Serge; Cuendet, Muriel; Wolfender, Jean-Luc

doi:10.3390/molecules21030259

Scientific article

English

Statistical Correlations between HPLC Activity-Based Profiling Results and NMR/MS Microfraction Data to Deconvolute Bioactive Compounds in Mixtures

Contributors

Bertrand, Samuel; Azzollini, Antonio; Nievergelt-Meier, Andreas; Boccard, Julien

; Rudaz, Serge

; Cuendet, Muriel

; Wolfender, Jean-Luc

Published in

Molecules, vol. 21, 259

Publication date

2016

Abstract

Recent approaches in natural product (NP) research are leading toward the discovery of bioactive chemical entities at the microgram level. In comparison to classical large scale bioassay-guided fractionation, the use of LC-MS metabolite profiling in combination with microfractionation for both bioactivity profiling and NMR analysis, allows the identification of bioactive compounds at a very early stage. In that context, this study aims to assess the potential of statistic correlation analysis to enable unambiguous identification of features related to bioactive compounds in mixtures, without the need for complete isolation. For that purpose, a mixture of NPs was microfractionated by rapid small-scale semi-preparative HPLC for proof-of-concept. UHPLC-ESI-TOFMS profiles, micro-flow CapNMR spectra and a cancer chemopreventive assay carried out on every microfraction were analysed by statistical correlations.

Keywords

Microfractionation
Biological profiling
Correlation analysis
Quinone reductase induction
Metabolomics

UNIGE affiliation entities

Faculté des sciences / Section des sciences pharmaceutiques

UNIGE research groups

Phytochimie et produits naturels bioactifs

Citation (ISO format)

BERTRAND, Samuel et al. Statistical Correlations between HPLC Activity-Based Profiling Results and NMR/MS Microfraction Data to Deconvolute Bioactive Compounds in Mixtures. In: Molecules, 2016, vol. 21, p. 259. doi: 10.3390/molecules21030259

Article (Published version)

Identifiers

PID : unige:85601
DOI : 10.3390/molecules21030259
PMID : 26927035

Journal ISSN

1420-3049

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492downloads

Creation

20/07/2016 15:29:00

First validation

20/07/2016 15:29:00

Update

15/03/2023 00:35:49

Status update

15/03/2023 00:35:48

Last indexation

18/03/2025 09:22:15

Statistical Correlations between HPLC Activity-Based Profiling Results and NMR/MS Microfraction Data to Deconvolute Bioactive Compounds in Mixtures

Contributors

Published in

Publication date

Abstract

Keywords

UNIGE affiliation entities

UNIGE research groups

Citation (ISO format)

Main files (1)

Identifiers

Journal ISSN

Technical informations

Creation

First validation

Update

Status update

Last indexation