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Chemical Constituents, Antioxidant, and Enzyme Inhibitory Activities Supported by In-Silico Study of n-Hexane Extract and Essential Oil of Guava Leaves.
Aly, Shaza H; Eldahshan, Omayma A; Al-Rashood, Sara T; Binjubair, Faizah A; El Hassab, Mahmoud A; Eldehna, Wagdy M; Dall'Acqua, Stefano; Zengin, Gokhan.
Affiliation
  • Aly SH; Department of Pharmacognosy, Faculty of Pharmacy, Badr University in Cairo (BUC), Cairo 11829, Egypt.
  • Eldahshan OA; Pharmacognosy Department, Faculty of Pharmacy, Ain Shams University, Cairo 11566, Egypt.
  • Al-Rashood ST; Center for Drug Discovery Research and Development, Ain Shams University, Cairo 11566, Egypt.
  • Binjubair FA; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
  • El Hassab MA; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P.O. Box 2457, Riyadh 11451, Saudi Arabia.
  • Eldehna WM; Department of Medicinal Chemistry, Faculty of Pharmacy, King Salman International University (KSIU), South Sinai 46612, Egypt.
  • Dall'Acqua S; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh 33516, Egypt.
  • Zengin G; School of Biotechnology, Badr University in Cairo, Badr City, Cairo 11829, Egypt.
Molecules ; 27(24)2022 Dec 16.
Article in En | MEDLINE | ID: mdl-36558111
Psidium guajava (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 n-hexane extract and the essential oil of P. guajava 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 n-hexane extract and essential oil revealed that squalene (9.76%), α-tocopherol (8.53%), and γ-sitosterol (3.90%) are the major compounds in the n-hexane extract. In contrast, the major constituents of the essential oil are D-limonene (36.68%) and viridiflorol (9.68%). The n-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 α-amylase, and α-glucosidase inhibitory activity of the n-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 P. guajava n-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.
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Full text: 1 Database: MEDLINE Main subject: Oils, Volatile / Psidium Type of study: Prognostic_studies Language: En Journal: Molecules Year: 2022 Type: Article Affiliation country: Egypt

Full text: 1 Database: MEDLINE Main subject: Oils, Volatile / Psidium Type of study: Prognostic_studies Language: En Journal: Molecules Year: 2022 Type: Article Affiliation country: Egypt