Abstract
Sabina chinensis cv. Kaizuca (SCK) is a variant of S. chinensis L. The essential oil from its leaves exhibited α-amylase inhibitory activity in vitro and the IC50 value was 187.08 ± 0.56 μg/mL. Nineteen compounds were identified from this essential oil by gas chromatography-mass spectrometry (GC-MS) analysis. The major compounds identified were bornyl acetate (42.6%), elemol (20.5%), β-myrcene (13.7%) and β-linalool (4.0%). In order to study the reason of the α-amylase inhibitory activity of this essential oil, the identified compounds were docked with α-amylase by molecular docking individually. Among these compounds, γ-eudesmol exhibited the lowest binding energy (-6.73 kcal/mol), followed by α-copaen-11-ol (-6.66 kcal/mol), cubedol (-6.39 kcal/mol) and α-acorenol (-6.12 kcal/mol). The results indicated that these compounds were the active ingredients responsible for the α-amylase inhibitory activity of essential oil from SCK.
Keywords:
GC-MS; Sabina chinensis cv. Kaizuca; essential oil; molecular docking; α-amylase.
MeSH terms
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Acyclic Monoterpenes
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Camphanes / analysis
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Camphanes / chemistry
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Camphanes / metabolism
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Drug Evaluation, Preclinical / methods
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Enzyme Inhibitors / chemistry
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Enzyme Inhibitors / metabolism
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Enzyme Inhibitors / pharmacology*
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Gas Chromatography-Mass Spectrometry
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Inhibitory Concentration 50
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Juniperus / chemistry*
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Molecular Docking Simulation
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Monoterpenes / analysis
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Monoterpenes / chemistry
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Monoterpenes / metabolism
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Oils, Volatile / analysis
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Oils, Volatile / chemistry*
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Oils, Volatile / pharmacology*
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Plant Leaves / chemistry
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Sesquiterpenes / analysis
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Sesquiterpenes / chemistry
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Sesquiterpenes / metabolism
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Sesquiterpenes, Eudesmane / analysis
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Sesquiterpenes, Eudesmane / chemistry
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Sesquiterpenes, Eudesmane / metabolism
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alpha-Amylases / antagonists & inhibitors*
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alpha-Amylases / chemistry
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alpha-Amylases / metabolism
Substances
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Acyclic Monoterpenes
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Camphanes
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Enzyme Inhibitors
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Monoterpenes
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Oils, Volatile
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Sesquiterpenes
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Sesquiterpenes, Eudesmane
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gamma-eudesmol
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beta-myrcene
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bornyl acetate
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linalool
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alpha-Amylases
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elemol