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Gas chromatography-mass spectrometry coupled with multivariate statistical analysis to identify the alpha glucosidase inhibitors from flesh of Salacca zalacca fruits and their molecular docking studies

Saleh, Mohammed S M and Siddiqui, Mohammad Jamshed Ahmad and Al-Mekhlafi, Nabil Ali and Alshwyeh, Hussah Abdullah and Mediani, Ahmed and Ismail, Nor Hadiani and Kamisah, Yusof (2021) Gas chromatography-mass spectrometry coupled with multivariate statistical analysis to identify the alpha glucosidase inhibitors from flesh of Salacca zalacca fruits and their molecular docking studies. Evidence-Based Complementary and Alternative Medicine, 2021. pp. 1-10. ISSN 1741-427X E-ISSN 1741-4288

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Abstract

Fruit of salak (Salaaca zalacca) is traditionally used and commercialized as an antidiabetic agent. However, scientific evidence to prove this folk claim is quite lacking. therefore, this research was aimed to evaluate the α-glucosidase inhibition activity of S. zalacca fruit and identify the bioactive compounds. +e fruits were extracted by different ratios of ethanol and water (0, 20, 40, 60, 80, 100%, v/v) to get E0 (100% water), E20 (20% ethanol), E40 (40% ethanol), E60 (60% ethanol), E80 (80% ethanol), and E100 (100% ethanol) extracts. +e extracts obtained were subjected to the α-glucosidase inhibitory assay. Gas chromatography-mass spectrometry- (GC-MS-) based metabolomics approach was used in profiling the bioactive metabolites present in the extracts. Orthogonal partial least square (OPLS) was used to correlate GC-MS data and α-glucosidase assay results to identify the possible chemical markers. All active compounds identified were subjected to molecular docking. +e extracts from the S. zalacca fruit showed potent inhibition activity against α-glucosidase. +e IC50 values from the α-glucosidase inhibitory assay ranged between 16 and 275 μg/ml. Overall, E60 displayed significantly higher α-glucosidase inhibition activity, while E0 showed the lowest α-glucosidase inhibition activity. Major compounds detected in S. zalacca fruits were sugars, fatty acids, and sterols, including myo-inositol, palmitic acid, stearic acid, and β-sitosterol. Moreover, the results obtained from molecular docking indicated that palmitic acid and β-sitosterol were close to the active side of the enzyme. Some of the residues that interacted include HID295, ASN259, LEU313, LYS125, PHE159, VAL216, PHE178, TYR72, TYR158, HIE315, ARG315, and PHE303. +e bioassay result strongly suggests that E60 extract from S. zalacca fruits has potential α-glucosidase inhibitory activity. +e hydrophobic compounds, including palmitic acid and β-sitosterol, were found to induce the α-glucosidase inhibition activity.

Item Type: Article (Journal)
Additional Information: 6804/88232
Uncontrolled Keywords: Salaaca zalacca; α-glucosidase inhibitory activity; Multivariate Statistical Analysis; Gas Chromatography-Mass Spectrometry
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Pharmacy
Kulliyyah of Pharmacy > Department of Pharmaceutical Chemistry
Depositing User: Dr M Jamshed Siddiqui
Date Deposited: 04 Feb 2021 14:23
Last Modified: 04 Feb 2021 14:23
URI: http://irep.iium.edu.my/id/eprint/88232

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