Essential oil of Hygrophila salicifolia (Vahl) Nees: Chemical composition, evaluation of antioxidant activity, anti-acetylcholinesterase and anti-α-glucosidase activities integrating molecular docking, and network pharmacology analysis

Xu, Ziyue; Zhu, Jiadong; Zhao, Jiayi; Zhu, Xinyu; Liu, Xu

doi:10.1016/j.indcrop.2024.119278

Industrial Crops and Products

2024

DOI: 10.1016/j.indcrop.2024.119278

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Essential oil of Hygrophila salicifolia (Vahl) Nees: Chemical composition, evaluation of antioxidant activity, anti-acetylcholinesterase and anti-α-glucosidase activities integrating molecular docking, and network pharmacology analysis

Ziyue Xu,

Jiadong Zhu,

Jiayi Zhao

et al.

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2024

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Cited by 2 publications

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Essential Oil From Tetrapanax papyrifer (Hook.) K. Koch: Chemical Composition, Antioxidant Activity, α‐Glucosidase Inhibitory Effect Integrating Molecular Docking Analysis

Xu,

Zhu,

Gao

et al. 2024

Chemistry & Biodiversity

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The present study investigated the chemical composition of essential oil from Tetrapanax papyrifer and evaluated its antioxidant and anti‐α‐glucosidase activity. Sixty‐one essential oil compounds from Tetrapanax papyrifer were identified by gas chromatography‐mass spectrometry (GC‐MS) and gas chromatography‐flame ionization detector (GC‐FID). The essential oil is rich in sesquiterpenoids (96.05%), with major components identified as β‐cubebene (13.96%), caryophyllene (13.43%), α‐cubebene (12.12%), copaene (7.89%), δ‐cadinene (7.29%), eremophilene (6.15%), humulene (5.26%). The essential oil showed dose‐dependent antioxidant activity with IC50 value of 723.15 ± 24.10 μg/mL, 200.74 ± 9.90 μg/mL for 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) and 2,2'‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) (ABTS) assays, respectively. Ferric reducing antioxidant power (FRAP) antioxidant capacity was 222.73 ± 25.49 μmol/g. The essential oil exhibited a 17.86 ± 0.56% inhibitory effect against α‐glucosidase at 500 μg/mL. Moreover, in silico molecular docking analyses were utilized to validate the in vitro anti‐α‐glucosidase results further.

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Essential Oil From Tetrapanax papyrifer (Hook.) K. Koch: Chemical Composition, Antioxidant Activity, α‐Glucosidase Inhibitory Effect Integrating Molecular Docking Analysis

Xu,

Zhu,

Gao

et al. 2024

Chemistry & Biodiversity

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Schinus molle Resin Essential Oil as Potent Bioinsecticide Against Tribolium castaneum: Chemical Profile, In Vitro Acetylcholinesterase Inhibition, DFT Calculation and Molecular Docking Analysis

Baccari,

Saidi,

Jebnouni

et al. 2024

Biomolecules

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Plants offer a bountiful source of natural pest control solutions through their essential oils. This research introduces and analyzes an eco-friendly natural essential oil for red flour beetle control. Therefore, the current study was included to show the chemical profile and the insecticidal efficacy of resin essential oil (REO) and its fractions (F1–3), resulting from chromatographic separation, from the plant Schinus molle against Tribolium castaneum adults. The trunk bark resin essential oil and its fractions’ composition were analyzed by GC-MS. Overall, 33 constituents with 98.3% of the total EO composition were identified. REO and F1–3 displayed impressive repellent properties at a concentration of 0.12 µL/cm2. After 120 min of exposure, repellency ranged from 73.3% to a remarkable 96.7%. They also exhibited noteworthy fumigant properties, with median lethal doses of LD50 = 120.6–160.8 μL/L. The fractions F1 and F3 showed the most notable topical toxicity at a concentration of 10%, with LD50 values of 8.6% and 5.6%, respectively. Fractions F3 and F2 demonstrated the most effective inhibition of acetylcholinesterase (AChE) activity, providing insight into their insecticidal mechanisms. The in silico molecular docking and DFT studies corroborate the results of in vitro tests performed to identify new insecticide products derived from natural sources.

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Essential oil of Hygrophila salicifolia (Vahl) Nees: Chemical composition, evaluation of antioxidant activity, anti-acetylcholinesterase and anti-α-glucosidase activities integrating molecular docking, and network pharmacology analysis

Cited by 2 publications

References 61 publications

Essential Oil From Tetrapanax papyrifer (Hook.) K. Koch: Chemical Composition, Antioxidant Activity, α‐Glucosidase Inhibitory Effect Integrating Molecular Docking Analysis

Essential Oil From Tetrapanax papyrifer (Hook.) K. Koch: Chemical Composition, Antioxidant Activity, α‐Glucosidase Inhibitory Effect Integrating Molecular Docking Analysis

Schinus molle Resin Essential Oil as Potent Bioinsecticide Against Tribolium castaneum: Chemical Profile, In Vitro Acetylcholinesterase Inhibition, DFT Calculation and Molecular Docking Analysis

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