GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies

<i>Syzygium cumini</i> (Pomposia) is a well-known aromatic plant belonging to the family Myrtaceae, and has been reported for its various traditional and pharmacological potentials, such as its antioxidant, antimicrobial, anti-inflammatory, and antidiarrheal properties. The chemical comp...

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Autores principales:	Heba A. S. El-Nashar, Wagdy M. Eldehna, Sara T. Al-Rashood, Amal Alharbi, Razan O. Eskandrani, Shaza H. Aly
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	acetylcholinesterase α-amylase <i>α</i>-glucosidase cytotoxicity essential oil molecular docking Organic chemistry QD241-441
Acceso en línea:	https://doaj.org/article/69dac70b6624423c93f0c56b1646fb09
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spelling	oai:doaj.org-article:69dac70b6624423c93f0c56b1646fb092021-11-25T18:28:55ZGC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies10.3390/molecules262269841420-3049https://doaj.org/article/69dac70b6624423c93f0c56b1646fb092021-11-01T00:00:00Zhttps://www.mdpi.com/1420-3049/26/22/6984https://doaj.org/toc/1420-3049<i>Syzygium cumini</i> (Pomposia) is a well-known aromatic plant belonging to the family Myrtaceae, and has been reported for its various traditional and pharmacological potentials, such as its antioxidant, antimicrobial, anti-inflammatory, and antidiarrheal properties. The chemical composition of the leaf essential oil via gas chromatography–mass spectrometry (GC/MS) analysis revealed the identification of fifty-three compounds representing about 91.22% of the total oil. The identified oil was predominated by <i>α</i>-pinene (21.09%), followed by <i>β</i>-(E)-ocimene (11.80%), D-limonene (8.08%), <i>β</i>-pinene (7.33%), and <i>α</i>-terpineol (5.38%). The tested oil revealed a moderate cytotoxic effect against human liver cancer cells (HepG2) with an IC<sub>50</sub> value of 38.15 ± 2.09 µg/mL. In addition, it effectively inhibited acetylcholinesterase with an IC<sub>50</sub> value of 32.9 ± 2.1 µg/mL. Furthermore, it showed inhibitory properties against α-amylase and α-glucosidase with IC<sub>50</sub> values of 57.80 ± 3.30 and 274.03 ± 12.37 µg/mL, respectively. The molecular docking studies revealed that (<i>E</i>)-<i>β</i>-caryophyllene, one of the major compounds, achieved the best docking scores of −6.75, −5.61, and −7.75 for acetylcholinesterase, α-amylase, and α-glucosidase, respectively. Thus, it is concluded that <i>S. cumini</i> oil should be considered as a food supplement for the elderly to enhance memory performance and for diabetic patients to control blood glucose.Heba A. S. El-NasharWagdy M. EldehnaSara T. Al-RashoodAmal AlharbiRazan O. EskandraniShaza H. AlyMDPI AGarticleacetylcholinesteraseα-amylase<i>α</i>-glucosidasecytotoxicityessential oilmolecular dockingOrganic chemistryQD241-441ENMolecules, Vol 26, Iss 6984, p 6984 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	acetylcholinesterase α-amylase <i>α</i>-glucosidase cytotoxicity essential oil molecular docking Organic chemistry QD241-441
spellingShingle	acetylcholinesterase α-amylase <i>α</i>-glucosidase cytotoxicity essential oil molecular docking Organic chemistry QD241-441 Heba A. S. El-Nashar Wagdy M. Eldehna Sara T. Al-Rashood Amal Alharbi Razan O. Eskandrani Shaza H. Aly GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies
description	<i>Syzygium cumini</i> (Pomposia) is a well-known aromatic plant belonging to the family Myrtaceae, and has been reported for its various traditional and pharmacological potentials, such as its antioxidant, antimicrobial, anti-inflammatory, and antidiarrheal properties. The chemical composition of the leaf essential oil via gas chromatography–mass spectrometry (GC/MS) analysis revealed the identification of fifty-three compounds representing about 91.22% of the total oil. The identified oil was predominated by <i>α</i>-pinene (21.09%), followed by <i>β</i>-(E)-ocimene (11.80%), D-limonene (8.08%), <i>β</i>-pinene (7.33%), and <i>α</i>-terpineol (5.38%). The tested oil revealed a moderate cytotoxic effect against human liver cancer cells (HepG2) with an IC<sub>50</sub> value of 38.15 ± 2.09 µg/mL. In addition, it effectively inhibited acetylcholinesterase with an IC<sub>50</sub> value of 32.9 ± 2.1 µg/mL. Furthermore, it showed inhibitory properties against α-amylase and α-glucosidase with IC<sub>50</sub> values of 57.80 ± 3.30 and 274.03 ± 12.37 µg/mL, respectively. The molecular docking studies revealed that (<i>E</i>)-<i>β</i>-caryophyllene, one of the major compounds, achieved the best docking scores of −6.75, −5.61, and −7.75 for acetylcholinesterase, α-amylase, and α-glucosidase, respectively. Thus, it is concluded that <i>S. cumini</i> oil should be considered as a food supplement for the elderly to enhance memory performance and for diabetic patients to control blood glucose.
format	article
author	Heba A. S. El-Nashar Wagdy M. Eldehna Sara T. Al-Rashood Amal Alharbi Razan O. Eskandrani Shaza H. Aly
author_facet	Heba A. S. El-Nashar Wagdy M. Eldehna Sara T. Al-Rashood Amal Alharbi Razan O. Eskandrani Shaza H. Aly
author_sort	Heba A. S. El-Nashar
title	GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies
title_short	GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies
title_full	GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies
title_fullStr	GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies
title_full_unstemmed	GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies
title_sort	gc/ms analysis of essential oil and enzyme inhibitory activities of <i>syzygium cumini</i> (pamposia) grown in egypt: chemical characterization and molecular docking studies
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/69dac70b6624423c93f0c56b1646fb09
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GC/MS Analysis of Essential Oil and Enzyme Inhibitory Activities of <i>Syzygium cumini</i> (Pamposia) Grown in Egypt: Chemical Characterization and Molecular Docking Studies

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