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Open AccessArticle

Investigation of α-Glucosidase Inhibitory Metabolites from Tetracera scandens Leaves by GC–MS Metabolite Profiling and Docking Studies

1
Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Indera Mahkota, Kuantan 25200, Pahang, Malaysia
2
Pharmacognosy Research Group, Kulliyyah of Pharmacy, International Islamic University Malaysia, Indera Mahkota, Kuantan 25200, Pahang, Malaysia
3
Laboratory of Natural Products, Institute of Bioscience, Universiti Putra Malaysia, Serdang 43400, Selangor, Malaysia
4
Department of Biomedical Sciences, Faculty of Medicine and Health Sciences, Universiti Putra Malaysia, Serdang 43400, Selangor, Malaysia
5
Halal Research Institute, Universiti Putra Malaysia, Serdang 43400, Selangor, Malaysia
*
Authors to whom correspondence should be addressed.
Biomolecules 2020, 10(2), 287; https://doi.org/10.3390/biom10020287 (registering DOI)
Received: 6 October 2019 / Revised: 6 November 2019 / Accepted: 12 November 2019 / Published: 12 February 2020
(This article belongs to the Special Issue Bioactive Lipids in Health and Disease)
Stone leaf (Tetracera scandens) is a Southeast Asian medicinal plant that has been traditionally used for the management of diabetes mellitus. The underlying mechanisms of the antidiabetic activity have not been fully explored yet. Hence, this study aimed to evaluate the α-glucosidase inhibitory potential of the hydromethanolic extracts of T. scandens leaves and to characterize the metabolites responsible for such activity through gas chromatography–mass spectrometry (GC–MS) metabolomics. Crude hydromethanolic extracts of different strengths were prepared and in vitro assayed for α-glucosidase inhibition. GC–MS analysis was further carried out and the mass spectral data were correlated to the corresponding α-glucosidase inhibitory IC50 values via an orthogonal partial least squares (OPLS) model. The 100%, 80%, 60% and 40% methanol extracts displayed potent α-glucosidase inhibitory potentials. Moreover, the established model identified 16 metabolites to be responsible for the α-glucosidase inhibitory activity of T. scandens. The putative α-glucosidase inhibitory metabolites showed moderate to high affinities (binding energies of −5.9 to −9.8 kcal/mol) upon docking into the active site of Saccharomyces cerevisiae isomaltase. To sum up, an OPLS model was developed as a rapid method to characterize the α-glucosidase inhibitory metabolites existing in the hydromethanolic extracts of T. scandens leaves based on GC–MS metabolite profiling.
Keywords: Tetracera scandens; metabolite profiling; α-glucosidase inhibition; orthogonal partial least squares; GC–MS metabolomics; molecular docking Tetracera scandens; metabolite profiling; α-glucosidase inhibition; orthogonal partial least squares; GC–MS metabolomics; molecular docking
MDPI and ACS Style

Nokhala, A.; Siddiqui, M.J.; Ahmed, Q.U.; Ahamad Bustamam, M.S.; Zakaria, Z.A. Investigation of α-Glucosidase Inhibitory Metabolites from Tetracera scandens Leaves by GC–MS Metabolite Profiling and Docking Studies. Biomolecules 2020, 10, 287.

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