Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava Leaves
<i>Psidium guajava</i> (Guava tree) is one of the most widely known species in the family Myrtaceae. The Guava tree has been reported for its potential antioxidant, anti-inflammatory, antimicrobial, and cytotoxic activities. In the current study, the chemical compositions of the <i>...
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MDPI AG
2022-12-01
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| author | Shaza H. Aly Omayma A. Eldahshan Sara T. Al-Rashood Faizah A. Binjubair Mahmoud A. El Hassab Wagdy M. Eldehna Stefano Dall’Acqua Gokhan Zengin |
| author_facet | Shaza H. Aly Omayma A. Eldahshan Sara T. Al-Rashood Faizah A. Binjubair Mahmoud A. El Hassab Wagdy M. Eldehna Stefano Dall’Acqua Gokhan Zengin |
| author_sort | Shaza H. Aly |
| collection | DOAJ |
| description | <i>Psidium guajava</i> (Guava tree) is one of the most widely known species in the family Myrtaceae. The Guava tree has been reported for its potential antioxidant, anti-inflammatory, antimicrobial, and cytotoxic activities. In the current study, the chemical compositions of the <i>n</i>-hexane extract and the essential oil of <i>P. guajava</i> were investigated using the GC/MS analysis, along with an evaluation of their antioxidant potential, and an investigation into the enzyme inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BchE), tyrosinase, α-amylase, and α-glucosidase. Moreover, molecular docking of the major identified active sites of the target enzymes were investigated. The chemical characterization of the <i>n</i>-hexane extract and essential oil revealed that squalene (9.76%), <i>α</i>-tocopherol (8.53%), and <i>γ</i>-sitosterol (3.90%) are the major compounds in the <i>n</i>-hexane extract. In contrast, the major constituents of the essential oil are D-limonene (36.68%) and viridiflorol (9.68%). The <i>n</i>-hexane extract showed more antioxidant potential in the cupric reducing antioxidant capacity (CUPRAC), the ferric reducing power (FRAP), and the metal chelating ability (MCA) assays, equivalent to 70.80 ± 1.46 mg TE/g, 26.01 ± 0.97 mg TE/g, and 24.83 ± 0.35 mg EDTAE/g, respectively. In the phosphomolybdenum (PM) assay, the essential oil showed more antioxidant activity equivalent to 2.58 ± 0.14 mmol TE/g. The essential oil demonstrated a potent BChE and tyrosinase inhibitory ability at 6.85 ± 0.03 mg GALAE/g and 61.70 ± 3.21 mg KAE/g, respectively. The <i>α</i>-amylase, and <i>α</i>-glucosidase inhibitory activity of the <i>n</i>-hexane extract and the essential oil varied from 0.52 to 1.49 mmol ACAE/g. Additionally, the molecular docking study revealed that the major compounds achieved acceptable binding scores upon docking with the tested enzymes. Consequently, the <i>P. guajava n</i>-hexane extract and oil can be used as a promising candidate for the development of novel treatment strategies for oxidative stress, neurodegeneration, and diabetes mellitus diseases. |
| first_indexed | 2024-03-09T16:01:57Z |
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| spelling | doaj.art-15055128c4b041deb4869979f13d5c432023-11-24T17:00:43ZengMDPI AGMolecules1420-30492022-12-012724897910.3390/molecules27248979Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava LeavesShaza H. Aly0Omayma A. Eldahshan1Sara T. Al-Rashood2Faizah A. Binjubair3Mahmoud A. El Hassab4Wagdy M. Eldehna5Stefano Dall’Acqua6Gokhan Zengin7Department of Pharmacognosy, Faculty of Pharmacy, Badr University in Cairo (BUC), Cairo 11829, EgyptPharmacognosy Department, Faculty of Pharmacy, Ain Shams University, Cairo 11566, EgyptDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi ArabiaDepartment of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi ArabiaDepartment of Medicinal Chemistry, Faculty of Pharmacy, King Salman International University (KSIU), South Sinai 46612, EgyptDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516, EgyptDepartment of Pharmaceutical and Pharmacological Sciences, University of Padova, 35131 Padova, ItalyDepartment of Biology, Science Faculty, Selcuk University, Konya 42130, Turkey<i>Psidium guajava</i> (Guava tree) is one of the most widely known species in the family Myrtaceae. The Guava tree has been reported for its potential antioxidant, anti-inflammatory, antimicrobial, and cytotoxic activities. In the current study, the chemical compositions of the <i>n</i>-hexane extract and the essential oil of <i>P. guajava</i> were investigated using the GC/MS analysis, along with an evaluation of their antioxidant potential, and an investigation into the enzyme inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BchE), tyrosinase, α-amylase, and α-glucosidase. Moreover, molecular docking of the major identified active sites of the target enzymes were investigated. The chemical characterization of the <i>n</i>-hexane extract and essential oil revealed that squalene (9.76%), <i>α</i>-tocopherol (8.53%), and <i>γ</i>-sitosterol (3.90%) are the major compounds in the <i>n</i>-hexane extract. In contrast, the major constituents of the essential oil are D-limonene (36.68%) and viridiflorol (9.68%). The <i>n</i>-hexane extract showed more antioxidant potential in the cupric reducing antioxidant capacity (CUPRAC), the ferric reducing power (FRAP), and the metal chelating ability (MCA) assays, equivalent to 70.80 ± 1.46 mg TE/g, 26.01 ± 0.97 mg TE/g, and 24.83 ± 0.35 mg EDTAE/g, respectively. In the phosphomolybdenum (PM) assay, the essential oil showed more antioxidant activity equivalent to 2.58 ± 0.14 mmol TE/g. The essential oil demonstrated a potent BChE and tyrosinase inhibitory ability at 6.85 ± 0.03 mg GALAE/g and 61.70 ± 3.21 mg KAE/g, respectively. The <i>α</i>-amylase, and <i>α</i>-glucosidase inhibitory activity of the <i>n</i>-hexane extract and the essential oil varied from 0.52 to 1.49 mmol ACAE/g. Additionally, the molecular docking study revealed that the major compounds achieved acceptable binding scores upon docking with the tested enzymes. Consequently, the <i>P. guajava n</i>-hexane extract and oil can be used as a promising candidate for the development of novel treatment strategies for oxidative stress, neurodegeneration, and diabetes mellitus diseases.https://www.mdpi.com/1420-3049/27/24/8979antioxidantscholinesteraseenzyme inhibitionGC/MSMyrtaceae<i>Psidium guajava</i> |
| spellingShingle | Shaza H. Aly Omayma A. Eldahshan Sara T. Al-Rashood Faizah A. Binjubair Mahmoud A. El Hassab Wagdy M. Eldehna Stefano Dall’Acqua Gokhan Zengin Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava Leaves Molecules antioxidants cholinesterase enzyme inhibition GC/MS Myrtaceae <i>Psidium guajava</i> |
| title | Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava Leaves |
| title_full | Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava Leaves |
| title_fullStr | Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava Leaves |
| title_full_unstemmed | Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava Leaves |
| title_short | Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of <i>n</i>-Hexane Extract and Essential Oil of Guava Leaves |
| title_sort | chemical constituents antioxidant and enzyme inhibitory activities supported by in silico study of i n i hexane extract and essential oil of guava leaves |
| topic | antioxidants cholinesterase enzyme inhibition GC/MS Myrtaceae <i>Psidium guajava</i> |
| url | https://www.mdpi.com/1420-3049/27/24/8979 |
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