Antioxidant Activity and Molecular Docking Study of Volatile Constituents from Different Aromatic Lamiaceous Plants Cultivated in Madinah Monawara, Saudi Arabia.

Amr Farouk,Mohamed Mohsen,Hamdy Shaaban,Hatem Ali,Najla Albaridi

doi:10.3390/molecules26144145

Amr Farouk, Mohamed Mohsen + Show 3 more

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https://doi.org/10.3390/molecules26144145

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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 β-caryophyllene (3.02%) were dominant in M. spicata oil; terpin-4-ol (42.47%), trans-sabinene hydrate (8.52%), γ-terpinene (7.90%), α-terpineol (7.38%), linalool (6.35%), α-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 β-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.

Highlights

Madinah Munawara is an important city in the Middle East with a relevant historical heritage and millions of visitors annually, located at the northwest of the Arab peninsula
The chemical composition of volatile oils from aerial parts of M. longifolia, M. spicata, and O. majorana was characterized by Gas Chromatography-Mass Spectrometry (GC-MS) (Table 1, Figure 1A–C)
Our above findings are in line with previous reports on volatiles of the same species cultivated in Egypt [11], with quantitative differences, while the essential oils of M. longifolia cultivated in Tunisia and Tajikistan have an entirely different profile [12,13]

Summary

Introduction

Madinah Munawara is an important city in the Middle East with a relevant historical heritage and millions of visitors annually, located at the northwest of the Arab peninsula. Medicinal plants represent about 12% of the total floral species in the Arab peninsula and include 300 species belonging to 72 families. The Lamiaceae, known as Labiatae or the mint family, is widely grown in the Arab peninsula, especially in Madinah. (Doosh) are traditionally used alone or mixed with tea and other herbs as refreshment drinks and in cuisine dishes for their aroma and flavor. Such mints are used in folk medicine to treat nausea, bronchitis, anorexia, ulcerative colitis, liver diseases, and other symptoms [2]. The Lamiaceae family contains 236 genera, with M. longifolia and M. spicata belonging to the genus Mentha L. and O. majorana belonging to the genus Origanum L

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