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Molecules. 2018 Sep 19;23(9). pii: E2402. doi: 10.3390/molecules23092402.

Characterization of α-Glucosidase Inhibitors from Clinacanthus nutans Lindau Leaves by Gas Chromatography-Mass Spectrometry-Based Metabolomics and Molecular Docking Simulation.

Author information

1
Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan 25200, Pahang Darul Makmur, Malaysia. suganya.murugesu@gmail.com.
2
Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan 25200, Pahang Darul Makmur, Malaysia. zalikha@iium.edu.my.
3
Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan 25200, Pahang Darul Makmur, Malaysia. qamaruahmed@yahoo.com.
4
Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan 25200, Pahang Darul Makmur, Malaysia. nikzed@yahoo.com.
5
Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan 25200, Pahang Darul Makmur, Malaysia. bishafu@iium.edu.my.
6
Faculty Pharmacy & Health Sciences, Universiti Kuala Lumpur Royal College of Medicine Perak, Ipoh 30450, Perak Darul Ridzuan, Malaysia. vikneswari@unikl.edu.my.
7
Laboratory of Natural Products, Institute of Bioscience, Universiti Putra Malaysia, Serdang 43300, Selangor Darul Ehsan, Malaysia. faridah_abas@upm.edu.my.
8
Laboratory of Natural Products, Institute of Bioscience, Universiti Putra Malaysia, Serdang 43300, Selangor Darul Ehsan, Malaysia. khozirah@upm.edu.my.
9
Division of Pharmacognosy, Department of Medicinal Chemistry, Biomedical Centre, Uppsala University, Box 574, SE-751 23 Uppsala, Sweden. hesham@kth.se.
10
H.E.J. Research Institute of Chemistry, International Centre for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan. hesham@kth.se.
11
Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan 25200, Pahang Darul Makmur, Malaysia. alfikhatib@iium.edu.my.
12
Laboratory of Natural Products, Institute of Bioscience, Universiti Putra Malaysia, Serdang 43300, Selangor Darul Ehsan, Malaysia. alfikhatib@iium.edu.my.

Abstract

BACKGROUND:

Clinacanthus nutans (C. nutans) is an Acanthaceae herbal shrub traditionally consumed to treat various diseases including diabetes in Malaysia. This study was designed to evaluate the α-glucosidase inhibitory activity of C. nutans leaves extracts, and to identify the metabolites responsible for the bioactivity.

METHODS:

Crude extract obtained from the dried leaves using 80% methanolic solution was further partitioned using different polarity solvents. The resultant extracts were investigated for their α-glucosidase inhibitory potential followed by metabolites profiling using the gas chromatography tandem with mass spectrometry (GC-MS).

RESULTS:

Multivariate data analysis was developed by correlating the bioactivity, and GC-MS data generated a suitable partial least square (PLS) model resulting in 11 bioactive compounds, namely, palmitic acid, phytol, hexadecanoic acid (methyl ester), 1-monopalmitin, stigmast-5-ene, pentadecanoic acid, heptadecanoic acid, 1-linolenoylglycerol, glycerol monostearate, alpha-tocospiro B, and stigmasterol. In-silico study via molecular docking was carried out using the crystal structure Saccharomyces cerevisiae isomaltase (PDB code: 3A4A). Interactions between the inhibitors and the protein were predicted involving residues, namely LYS156, THR310, PRO312, LEU313, GLU411, and ASN415 with hydrogen bond, while PHE314 and ARG315 with hydrophobic bonding.

CONCLUSION:

The study provides informative data on the potential α-glucosidase inhibitors identified in C. nutans leaves, indicating the plant's therapeutic effect to manage hyperglycemia.

KEYWORDS:

Clinacanthus nutans; GC-MS; diabetes; partial least square; α-glucosidase inhibitors

PMID:
30235889
PMCID:
PMC6225325
DOI:
10.3390/molecules23092402
[Indexed for MEDLINE]
Free PMC Article

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