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DC Field | Value | Language |
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dc.contributor.author | Suganya Murugesu | - |
dc.contributor.author | Zalikha Ibrahim | - |
dc.contributor.author | Qamar-Uddin Ahmed | - |
dc.contributor.author | Nik-Idris Nik Yusoff | - |
dc.contributor.author | Bisha-Fathamah Uzir | - |
dc.contributor.author | Vikneswari Perumal | - |
dc.contributor.author | Faridah Abas | - |
dc.contributor.author | Khozirah Saari | - |
dc.contributor.author | Hesham El-Seedi | - |
dc.contributor.author | Alfi Khatib | - |
dc.date.accessioned | 2019-06-24T07:39:52Z | - |
dc.date.available | 2019-06-24T07:39:52Z | - |
dc.date.issued | 2018-09 | - |
dc.identifier.citation | Murugesu, S., Ibrahim, Z., Ahmed, Q. U., Yusoff, N. I. N., Uzir, B. F., Perumal, V., … Khatib, A. (2018). Characterization of ?-glucosidase inhibitors from clinacanthus nutans lindau leaves by gas chromatography-mass spectrometry-based metabolomics and molecular docking simulation. Molecules, 23(9). https://doi.org/10.3390/molecules23092402 | en_US |
dc.identifier.issn | 1420-3049 | - |
dc.identifier.uri | https://www.mdpi.com/1420-3049/23/9/2402 | - |
dc.identifier.uri | http://ir.unikl.edu.my/jspui/handle/123456789/22060 | - |
dc.description.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 | en_US |
dc.publisher | MDPI | en_US |
dc.subject | α-glucosidase inhibitors; | en_US |
dc.subject | Clinacanthus nutans | en_US |
dc.subject | diabetes | en_US |
dc.subject | GC-MS | en_US |
dc.subject | partial least square | en_US |
dc.title | Characterization of α-Glucosidase Inhibitors from Clinacanthus nutans Lindau Leaves by Gas Chromatography-Mass Spectrometry-Based Metabolomics and Molecular Docking Simulation | en_US |
dc.type | Article | en_US |
Appears in Collections: | Journal Articles |
Files in This Item:
File | Description | Size | Format | |
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Characterization of α-Glucosidase Inhibitors from Clinacanthus nutans Lindau Leaves.pdf | 2.88 MB | Adobe PDF | View/Open |
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