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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
Industrial Crops and Products ( IF 5.6 ) Pub Date : 2024-07-24 , DOI: 10.1016/j.indcrop.2024.119278
Ziyue Xu , Jiadong Zhu , Jiayi Zhao , Xinyu Zhu , Xu Liu

(Vahl) Nees is a traditional Chinese herbal medicine widely circulated in the Chinese medicinal materials market. It has gained significant popularity for its therapeutic effects in clearing heat and reducing swelling. The present study evaluated the chemical composition, antioxidant capacity, acetylcholinesterase, and α-glucosidase inhibitory effect of this species' essential oil. The major compounds of essential oil were 1-octen-3-ol (29.0 %), phytol (5.7 %), phytone (4.6 %), cubebol (3.7 %), estragole (3.5 %), 7-epi-silphiperfol-5-ene (3.3 %), and ylangenol (3.1 %). The essential oil of revealed antioxidant activity against both 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radicals with half-maximal inhibitory concentration (IC) values of 2.13 ± 0.17 and 0.22 ± 0.02 mg/mL. The ferric reducing antioxidant power (FRAP) value was 170.97 ± 3.68 μmol·g. The essential oil has moderate activity against acetylcholinesterase (IC = 360.4 ± 12.7 μg/mL) and weak activity against α-glucosidase (14.2 % inhibition at 500 μg/mL). Moreover, we conducted network pharmacology analysis and molecular docking to evidence the results of tests, providing a theoretical foundation for future drug development. The presented results suggest that the essential oil of possesses the potential to be used in cosmetics, food, and pharmacological industries, emphasizing the need for further investigation.

中文翻译:


Hygrophila salicifolia (Vahl)精油的化学成分、抗氧化活性评价、抗乙酰胆碱酯酶和抗α-葡萄糖苷酶活性结合分子对接、网络药理学分析



(瓦尔)尼是中药材市场广泛流通的传统中草药。它因其清热消肿的功效而广受人们的喜爱。本研究评估了该物种精油的化学成分、抗氧化能力、乙酰胆碱酯酶和α-葡萄糖苷酶抑制作用。精油的主要成分为1-辛烯-3-醇(29.0%)、植醇(5.7%)、植物酮(4.6%)、荠菜醇(3.7%)、草蒿脑(3.5%)、7-epi-silphiperfol-5 -烯 (3.3 %) 和依兰烯醇 (3.1 %)。该精油对 2,2-二苯基-1-三硝基苯肼 (DPPH) 和 2,2'-连氮基-双(3-乙基苯并噻唑啉-6-磺酸) (ABTS) 自由基具有半最大抑制浓度的抗氧化活性(IC) 值为 2.13 ± 0.17 和 0.22 ± 0.02 mg/mL。铁还原抗氧化能力(FRAP)值为170.97±3.68μmol·g。该精油对乙酰胆碱酯酶具有中等活性 (IC = 360.4 ± 12.7 μg/mL),对 α-葡萄糖苷酶具有弱活性(500 μg/mL 时抑制 14.2%)。此外,我们还进行了网络药理学分析和分子对接来验证测试结果,为未来的药物开发提供理论基础。所呈现的结果表明,精油具有在化妆品、食品和药物工业中使用的潜力,强调需要进一步研究。
更新日期:2024-07-24
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