Complementary NMR- and MS-based metabolomics approaches reveal the correlations of phytochemicals and biological activities in Phyllanthus acidus leaf extracts

Ghafar, Siti Zulaikha Abd; Mediani, Ahmed; Maulidiani, M.; Rudiyanto, R.; Ghazali, Hasanah Mohd; Ramli, Nurul Shazini; Abas, Faridah

doi:10.1016/j.foodres.2020.109312

Cited by 12 publications

(4 citation statements)

References 49 publications

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“…The chemical shift of Que in 1 H NMR (Table ) is consistent with that reported by Ghafar et al; however, when the NMR spectrum of the mixture of α-SOH and Que was measured, the chemical shifts of certain H atoms had changed. In detail, in comparison with the 1 H NMR of only either phenol or α-SOH, the chemical shifts of H Que -2′, 5′, 6′ (localizing in B ring) were toward the low field of NMR, while the chemical shifts of H α‑SOH -2 to 12 (i.e., the tetraenyl group at the tail of α-SOH) were toward the high field, indicating that the chemical circumstances of these H atoms had changed .…”

Section: Resultssupporting

confidence: 89%

Interactions between Phenols and Alkylamides of Sichuan Pepper (Zanthoxylum Genus) in α-Glucosidase Inhibition: A Structural Mechanism Analysis

Zhang

Liu

Zhang

et al. 2021

J. Agric. Food Chem.

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The phenols and alkylamides in 26 varieties of Zanthoxylum pericarps (ZP) were comparatively identified, and the contribution of these key components to the inhibition of in vitro α-glucosidase (α-Glu) was confirmed using principal component analysis (PCA) and ingredient recombination models. Additionally, spectrophotometric assays, nuclear magnetic resonance (NMR), and molecular docking (MD) were employed to characterize the interactions among key components in ZP when exposed to α-Glu. Four phenols and hydroxy-α-sanshool (α-SOH), which were recognized as main ingredients, presented an antagonistic effect in the inhibition of α-Glu. 1H NMR demonstrated chemical shifts of certain hydrogens in the B phenolic ring and tetraenyl group, indicating a possible p−π conjugation between phenols and α-SOH. In addition, using MD analysis, the phenol-binding sites were observed to be negatively affected when α-SOH initially interacted with α-Glu. The combined results of the NMR and MD clarified the structural mechanism behind phenol/α-SOH antagonistic behavior in α-Glu inhibition.

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Section: Resultssupporting

confidence: 89%

Interactions between Phenols and Alkylamides of Sichuan Pepper (Zanthoxylum Genus) in α-Glucosidase Inhibition: A Structural Mechanism Analysis

Zhang

Liu

Zhang

et al. 2021

J. Agric. Food Chem.

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“…Multivariate data analysis (MVDA) was conducted according to the method by Abd Ghafar et al [20] with a slight modification. UHPLC-QTOF-MS chromatograms in negative ion mode were used for untargeted analysis.…”

Section: Multivariate Data Analysismentioning

confidence: 99%

UPLC-MS-Based Metabolomics Profiling for α-Glucosidase Inhibiting Property of Parkia speciosa Pods

Saleh

Jalil

Mustafa

et al. 2021

Life

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Parkia speciosa is a food plant that grows indigenously in Southeast Asia. A great deal of interest has been paid to this plant due to its traditional uses in the treatment of several diseases. The pods contain many beneficial secondary metabolites with potential applications in medicine and cosmetics. However, studies on their phytochemical properties are still lacking. Therefore, the present study was undertaken to profile the bioactive compounds of P. speciosa pods collected from six different regions of Malaysia through ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-QTOF-MS) and α-glucosidase inhibitory potential. This study applied metabolomics to elucidate the differences between P. speciosa populations found naturally in the different locations and to characterize potential α-glucosidase inhibitors from P. speciosa pods. P. speciosa collected from different regions of Malaysia showed good α-glucosidase inhibitory activity, with a median inhibitory concentration (IC50) of 0.45–0.76 μg/mL. The samples from the northern and northeastern parts of Peninsular Malaysia showed the highest activity. Using UHPLC-QTOF-MS/MS analysis, 25 metabolites were identified in the pods of P. speciosa. The findings unveiled that the pods of P. speciosa collected from different locations exhibit different levels of α-glucosidase inhibitory activity. The pods are a natural source of potent antidiabetic bioactive compounds.

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“…In addition to NMR spectroscopy, analytical techniques such as gas chromatography (GC) or liquid chromatography (LC) and Fourier transform (FT) methods are also employed in wine metabolomics studies. Some of the separation techniques are used in tandem with mass spectrometry (MS) for its high selectivity and sensitivity as well as the potential to identify metabolites ( Abd Ghafar et al, 2020 , Karamanou and Aliferis, 2020 ). Combining a separation technique such as GC or LC with MS provides isobar separation, reduces the complexity of the mass spectra through metabolite separation in the time dimension, and delivers additional information on the physicochemical properties of the metabolites ( Dettmer et al, 2007 , Zeki et al, 2020 ).…”

Section: Metabolomics In Wine and Alcoholic Beveragesmentioning

confidence: 99%

Recent advances in NMR-based metabolomics of alcoholic beverages

Tabago

Calingacion

Garcia

2021

Food Chemistry: Molecular Sciences

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Complementary NMR- and MS-based metabolomics approaches reveal the correlations of phytochemicals and biological activities in Phyllanthus acidus leaf extracts

Cited by 12 publications

References 49 publications

Interactions between Phenols and Alkylamides of Sichuan Pepper (Zanthoxylum Genus) in α-Glucosidase Inhibition: A Structural Mechanism Analysis

Interactions between Phenols and Alkylamides of Sichuan Pepper (Zanthoxylum Genus) in α-Glucosidase Inhibition: A Structural Mechanism Analysis

UPLC-MS-Based Metabolomics Profiling for α-Glucosidase Inhibiting Property of Parkia speciosa Pods

Recent advances in NMR-based metabolomics of alcoholic beverages

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