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滨蒿精油的治疗潜力:基于计算机模拟分析的抗氧化、抗炎和抗癌见解

Therapeutic Potential of Artemisia campestris Essential Oil: Antioxidant, Anti-Inflammatory, and Anticancer Insights From In Silico Analysis.

作者信息

Cherfi Inasse, Nasma Mahboub, Hasan Gamil Gamal, Benaissa Abir, Benaissa Youcef, Laouini Salah Eddine, Bouafia Abderrhmane, Alharthi Fahad, Emran Talha Bin, Mallick Jewel

机构信息

Faculty of Natural Science and Life, Department of Molecular and Cellular Biology, El Oued University, El Oued, Algeria.

Laboratory Biology, Environment, and Health, Faculty of Natural Sciences and Life, El-Oued University, El-Oued, Algeria.

出版信息

Biomed Chromatogr. 2025 Mar;39(3):e70012. doi: 10.1002/bmc.70012.

Abstract

Artemisia campestris subsp. campestris (tuguft) is a medicinal plant traditionally used in Algerian medicine. This study investigates the chemical composition and bioactivity of its essential oil (ACEO). Gas chromatography-mass spectrometry (GC-MS) analysis identified key compounds, including linalyl acetate (2.92%), geranyl acetate (2.45%), and eucalyptol (1.38%). ACEO demonstrated significant antioxidant activity, with IC values of 11.09 μg/mL (DPPH), 15.81 μg/mL (FRAP), and 22.70 μg/mL (β-carotene). It also enhanced peroxidase activity by 82.67 U/g. The anti-inflammatory effects were confirmed with an IC of 18.87 μg/mL. Notably, in silico molecular docking revealed that 3-cyclopentyl-N-(2-(3,4-dimethoxyphenyl)ethyl) exhibits strong binding affinity to phosphoinositide 3-kinase gamma, a target for pancreatic cancer therapy, suggesting potential anticancer activity. These findings underscore the therapeutic potential of ACEO, highlighting its antioxidant, anti-inflammatory, and anticancer properties.

摘要

野艾蒿(Artemisia campestris subsp. campestris (tuguft))是一种传统上用于阿尔及利亚医学的药用植物。本研究调查了其精油(ACEO)的化学成分和生物活性。气相色谱-质谱联用(GC-MS)分析鉴定出了关键化合物,包括乙酸芳樟酯(2.92%)、乙酸香叶酯(2.45%)和桉叶油醇(1.38%)。ACEO表现出显著的抗氧化活性,其IC值分别为11.09μg/mL(DPPH法)、15.81μg/mL(FRAP法)和22.70μg/mL(β-胡萝卜素法)。它还使过氧化物酶活性提高了82.67 U/g。抗炎作用通过18.87μg/mL的IC值得到证实。值得注意的是,计算机模拟分子对接显示,3-环戊基-N-(2-(3,4-二甲氧基苯基)乙基)对磷脂酰肌醇3-激酶γ具有很强的结合亲和力,磷脂酰肌醇3-激酶γ是胰腺癌治疗的一个靶点,表明其具有潜在的抗癌活性。这些发现强调了ACEO的治疗潜力,突出了其抗氧化、抗炎和抗癌特性。

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