Anti-epileptic potential, metabolic profiling and in silico studies of the aqueous fraction from O cimum menthiifolium benth, family Lamiaceae
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2020-08
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Taylor and Francis Ltd
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NATURAL PRODUCT RESEARCH;
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Formerly Natural Product Letters
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Short Communication
Anti-epileptic potential, metabolic profiling and in silico studies of the aqueous fraction from O cimum menthiifolium benth, family Lamiaceae
Eman Maher Zahran ,Usama Ramadan Abdelmohsen,Ahmed Kolkeila,M. Alaraby Salem,Hany Ezzat Khalil,Samar Yehia Desoukey, show all
Received 04 Apr 2020, Accepted 03 Aug 2020, Published online: 18 Aug 2020
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https://doi.org/10.1080/14786419.2020.1809396
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Abstract
The current study aimed to investigate the anti-epileptic potential of the ethanol extract and its different fractions from the Lamiaceous plant, Ocimum menthiifolium. The results revealed that the aqueous fraction with the latest onset of myoclonic convulsions (1095 ± 45**** s) was the most biologically active one. This was followed by LC-HR-MS-coupled metabolic profiling which led to dereplication of 8 compounds from that fraction. A molecular docking study was performed on the dereplicated compounds to discover the main responsible ones for the activity. The results highlighted Apigenin-7,4'-di-O-glucoside as the top scoring ligand with a possible mechanism of action involving the modulation of the voltage-gated sodium channel.
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Keywords
Ocimum menthiifolium, LC-HR-MS, anti-epileptic, aqueous fraction, molecular docking