2016
DOI: 10.3390/molecules21030259
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Statistical Correlations between HPLC Activity-Based Profiling Results and NMR/MS Microfraction Data to Deconvolute Bioactive Compounds in Mixtures

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 unambig… Show more

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Cited by 16 publications
(18 citation statements)
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“…In another study, fractions of natural product mixtures were subjected to combined NMR and MS analysis for identification of features related to bioactive compounds in mixtures, without the need for complete isolation. 90 …”
Section: Combining Nmr and Msmentioning
confidence: 99%
“…In another study, fractions of natural product mixtures were subjected to combined NMR and MS analysis for identification of features related to bioactive compounds in mixtures, without the need for complete isolation. 90 …”
Section: Combining Nmr and Msmentioning
confidence: 99%
“…One alternative is the use of nuclear magnetic resonance (NMR) spectroscopy, which has advanced beyond conventional methods because it is a rapid method to identify all metabolite profiles; it has been successfully applied to the analysis of chicken meat quality at the metabolite level [ 20 ]. Moreover, some of the special properties of NMR are that it is non-destructive, involves non-targeted analysis, provides high-throughput data, and directly measures components at the molecular level, requiring only a single standard to quantify several components simultaneously [ 21 , 22 ]. Therefore, this study was conducted to identify the presence of dipeptide anserine in chicken breast extract of Thai native and crossbred chickens using NMR spectroscopy and to determine the antioxidant activity of chicken breast extract.…”
Section: Introductionmentioning
confidence: 99%
“…53 Based on a similar premise, SHY MS-NMR correlations have been established between features of micro-fractions obtained by preparative-HPLC capillary 1 H-NMR (CapNMR) and LC-MS proles associated with a cancer chemo-preventive assay successfully deconvoluting bioactive compounds as their reconstituted pseudo 1 H NMR spectra. 55 Several approaches also rely on LC-MS-based proling for plant extract prioritisation. To identify new inhibitors of dengue virus replication, approximately 3500 plant extracts were screened using a dengue NS5 polymerase assay (DENV-NS5).…”
Section: Hsqc Nmr Metabolite Proling Of 39 Extracts Frommentioning
confidence: 99%