Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea

Introduction: Ficus deltoidea Jack (Moraceae) is a plant used in Malaysia to treat various ailments, including diabetes. The presence of several varieties raises essential questions regarding which is the potential bioactive variety and what are the bioactive metabolites. Objectives: Here, we explor...

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Published in:Phytochemical Analysis
Main Author: Kasim N.; Afzan A.; Mediani A.; Low K.H.; Ali A.M.; Mat N.; Wolfender J.-L.; Ismail N.H.
Format: Article
Language:English
Published: John Wiley and Sons Ltd 2022
Online Access:https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139235225&doi=10.1002%2fpca.3175&partnerID=40&md5=faa7eb48ac34e913b8138671227f0aa7
id 2-s2.0-85139235225
spelling 2-s2.0-85139235225
Kasim N.; Afzan A.; Mediani A.; Low K.H.; Ali A.M.; Mat N.; Wolfender J.-L.; Ismail N.H.
Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
2022
Phytochemical Analysis
33
8
10.1002/pca.3175
https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139235225&doi=10.1002%2fpca.3175&partnerID=40&md5=faa7eb48ac34e913b8138671227f0aa7
Introduction: Ficus deltoidea Jack (Moraceae) is a plant used in Malaysia to treat various ailments, including diabetes. The presence of several varieties raises essential questions regarding which is the potential bioactive variety and what are the bioactive metabolites. Objectives: Here, we explored the phytochemical diversity of the seven varieties from Peninsular Malaysia using Nuclear Magnetic Resonance (NMR) and Liquid Chromatography–Mass Spectrometry (LC–MS) analyses and correlated it with the α-glucosidase inhibitory activity. Methodology: The Nuclear Overhauser Effect Spectroscopy (NOESY) One-Dimensional (1D)-NMR and LC–MS data were processed, annotated, and correlated with in vitro α-glucosidase inhibitory using multivariate data analysis. Results: The α-glucosidase results demonstrated that different varieties have varying inhibitory effects, with the highest inhibition rate being F. deltoidea var. trengganuensis and var. kunstleri. Furthermore, diverse habitats and plant ages could also influence the inhibitory rate. The heat map from NMR and LC–MS profiles showed unique patterns according to varying levels of α-glucosidase inhibition rate. The Partial Least Squares (PLS) model constructed from both NMR and LC–MS further confirmed the correlation between the α-glucosidase inhibition rate of F. deltoidea varieties and its metabolite profiles. The Variable Influence on Projection (VIP) and correlation coefficient (p(corr)) values values were used to determine the highly relevant metabolites for explaining the anticipated inhibitory action. Conclusion: NMR and LC–MS annotations allow the identification of flavan-3-ols and proanthocyanidins as the key bioactive factors. Our current results demonstrated the value of multivariate data analysis to predict the quality of herbal materials from both biological and chemical aspects. © 2022 John Wiley & Sons Ltd.
John Wiley and Sons Ltd
9580344
English
Article

author Kasim N.; Afzan A.; Mediani A.; Low K.H.; Ali A.M.; Mat N.; Wolfender J.-L.; Ismail N.H.
spellingShingle Kasim N.; Afzan A.; Mediani A.; Low K.H.; Ali A.M.; Mat N.; Wolfender J.-L.; Ismail N.H.
Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
author_facet Kasim N.; Afzan A.; Mediani A.; Low K.H.; Ali A.M.; Mat N.; Wolfender J.-L.; Ismail N.H.
author_sort Kasim N.; Afzan A.; Mediani A.; Low K.H.; Ali A.M.; Mat N.; Wolfender J.-L.; Ismail N.H.
title Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
title_short Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
title_full Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
title_fullStr Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
title_full_unstemmed Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
title_sort Correlation of chemical profiles obtained from 1H-NMR and LC–MS metabolomics with α-glucosidase inhibition activity for varietal selections of Ficus deltoidea
publishDate 2022
container_title Phytochemical Analysis
container_volume 33
container_issue 8
doi_str_mv 10.1002/pca.3175
url https://www.scopus.com/inward/record.uri?eid=2-s2.0-85139235225&doi=10.1002%2fpca.3175&partnerID=40&md5=faa7eb48ac34e913b8138671227f0aa7
description Introduction: Ficus deltoidea Jack (Moraceae) is a plant used in Malaysia to treat various ailments, including diabetes. The presence of several varieties raises essential questions regarding which is the potential bioactive variety and what are the bioactive metabolites. Objectives: Here, we explored the phytochemical diversity of the seven varieties from Peninsular Malaysia using Nuclear Magnetic Resonance (NMR) and Liquid Chromatography–Mass Spectrometry (LC–MS) analyses and correlated it with the α-glucosidase inhibitory activity. Methodology: The Nuclear Overhauser Effect Spectroscopy (NOESY) One-Dimensional (1D)-NMR and LC–MS data were processed, annotated, and correlated with in vitro α-glucosidase inhibitory using multivariate data analysis. Results: The α-glucosidase results demonstrated that different varieties have varying inhibitory effects, with the highest inhibition rate being F. deltoidea var. trengganuensis and var. kunstleri. Furthermore, diverse habitats and plant ages could also influence the inhibitory rate. The heat map from NMR and LC–MS profiles showed unique patterns according to varying levels of α-glucosidase inhibition rate. The Partial Least Squares (PLS) model constructed from both NMR and LC–MS further confirmed the correlation between the α-glucosidase inhibition rate of F. deltoidea varieties and its metabolite profiles. The Variable Influence on Projection (VIP) and correlation coefficient (p(corr)) values values were used to determine the highly relevant metabolites for explaining the anticipated inhibitory action. Conclusion: NMR and LC–MS annotations allow the identification of flavan-3-ols and proanthocyanidins as the key bioactive factors. Our current results demonstrated the value of multivariate data analysis to predict the quality of herbal materials from both biological and chemical aspects. © 2022 John Wiley & Sons Ltd.
publisher John Wiley and Sons Ltd
issn 9580344
language English
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