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Essential Oil of Cestrum diurnum L.: GC/MS Analysis,in Vitro and in Silico Anti-HCoV-229E Effects and Inhibitory Activity against LPS-Induced Inflammation
Authors:Dina M. Bahgat  Haidy A. Gad  Eman Al-Sayed  Sara H. Mahmoud  Ahmed Mostafa  Nadia M. Mahfouz  Omayma A. Eldahshan  Abdel Nasser B. Singab
Affiliation:1. Faculty of Pharmacy, Ain Shams University, Organization of African Unity Street, Abassia, Cairo 11566 Egypt;2. Faculty of Pharmacy, Ain Shams University, Organization of African Unity Street, Abassia, Cairo 11566 Egypt

Department of Pharmacognosy, Faculty of Pharmacy, King Salman International University, South Sinai, 46612 Egypt;3. Center of Scientific Excellence for Influenza Viruses, National Research Center (NRC), Giza, 12622 Egypt;4. Department of Pharmaceutical Chemistry, Faculty of Pharmacy, October 6 University, Giza, 12585 Egypt

Abstract:Cestrum diurnum L. (Solanaceae) is a fragrant ornamental tree cultivated in different parts around the world. In this study, the essential oil (EO) of the aerial parts was extracted by hydrodistillation (HD), steam distillation (SD) and microwave-assisted hydro-distillation (MAHD). GC/MS analysis of the three EOs revealed that phytol represents the major component in SD-EO and MAHD-EO (40.84 and 40.04 %, respectively); while in HD-EO it only represented 15.36 %. The SD-EO showed a strong antiviral activity against HCoV-229E with IC50 of 10.93 μg/mL, whereas, MAHD-EO and HD-EO showed a moderate activity with IC50 values of 119.9 and 148.2 μg/mL, respectively. The molecular docking of EO major components: phytol, octadecyl acetate and tricosane showed a strong binding to coronavirus 3-CL (pro). Moreover, the three EOs (50 μg/mL) decreased the levels of NO, IL-6 and TNF-α and suppressed IL-6 and TNF-α gene expression in LPS-induced inflammation model in RAW264.7 macrophage cell lines.
Keywords:Cestrum  cytokines  molecular docking  phytol  229E HCoV
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