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Molecules

Title:		"Antioxidant Activity and Molecular Docking Study of Volatile Constituents from Different Aromatic Lamiaceous Plants Cultivated in Madinah Monawara, Saudi Arabia"
Author(s):		Farouk A; Mohsen M; Ali H; Shaaban H; Albaridi N;
Address:		"Flavour and Aroma Chemistry Department, National Research Center, Cairo 12622, Egypt. Madinah Region Municipality-Quality Agency-Food and Environment Laboratory, P.O. Box 4952, Al-Madina Al-Munawara 41412, Saudi Arabia. Food Technology Department, National Research Center, Cairo 12622, Egypt. Food Science and Nutrition Department, College of Food Science and Agriculture, King Saud University, Riyadh 12372, Saudi Arabia. Department of Physical Sport Science, Nutrition and Food Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia"
Journal Title:		Molecules
Year:		2021
Volume:		20210707
Issue:		14
Page Number:		-
DOI:		10.3390/molecules26144145
ISSN/ISBN:		1420-3049 (Electronic) 1420-3049 (Linking)
Abstract:		"A comparative study of volatile constituents, antioxidant activity, and molecular docking was conducted between essential oils from Mentha longifolia L., Mentha spicata L., and Origanum majorana L., widely cultivated in Madinah. The investigation of volatile oils extracted by hydrodistillation was performed using Gas Chromatography-Mass Spectrometry (GC-MS). A total number of 29, 42, and 29 components were identified in M. longifolia, M. spicata, and O. majorana representing, respectively, 95.91, 94.62, and 98.42, of the total oils. Pulegone (38.42%), 1,8-cineole (15.60%), menthone (13.20%), and isopulegone (9.81%) were the dominant compounds in M. longifolia oil; carvone (35.14%), limonene (27.11%), germacrene D (4.73%), and beta-caryophyllene (3.02%) were dominant in M. spicata oil; terpin-4-ol (42.47%), trans-sabinene hydrate (8.52%), gamma-terpinene (7.90%), alpha-terpineol (7.38%), linalool (6.35%), alpha-terpinene (5.42%), and cis-sabinene hydrate (3.14%) were dominant in O. majorana oil. The antioxidant activity, assessed using DPPH free radical-scavenging and ABTS assays, was found to be the highest in O. majorana volatile oil, followed by M. spicata and M. longifolia, which is consistent with the differences in total phenolic content and volatile constituents identified in investigated oils. In the same context, molecular docking of the main identified volatiles on NADPH oxidase showed a higher binding affinity for cis-verbenyl acetate, followed by beta-elemene and linalool, compared to the control (dextromethorphan). These results prove significant antioxidant abilities of the investigated oils, which may be considered for further analyses concerning the control of oxidative stress, as well as for their use as possible antioxidant agents in the pharmaceutical industry"
Keywords:		"Antioxidants/analysis/*pharmacology Mentha/*chemistry Molecular Docking Simulation NADPH Oxidases/*metabolism Oils, Volatile/analysis/*pharmacology Origanum/*chemistry Saudi Arabia Volatile Organic Compounds/analysis/*pharmacology Gc-ms Mentha longifolia;"
Notes:		"MedlineFarouk, Amr Mohsen, Mohamed Ali, Hatem Shaaban, Hamdy Albaridi, Najla eng Switzerland 2021/07/25 Molecules. 2021 Jul 7; 26(14):4145. doi: 10.3390/molecules26144145"