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唇形科植物精油:从化学分析到通过抑制可溶性环氧化物水解酶(sEH)对其抗炎活性进行计算机模拟研究。

Essential Oils of L.: From Chemical Analysis to In Silico Investigation of Anti-Inflammatory Activity by Soluble Epoxide Hydrolase (sEH) Inhibition.

作者信息

Fantasma Francesca, Samukha Vadym, Aliberti Michela, Colarusso Ester, Chini Maria Giovanna, Saviano Gabriella, De Felice Vincenzo, Lauro Gianluigi, Casapullo Agostino, Bifulco Giuseppe, Iorizzi Maria

机构信息

Department of Biosciences and Territory, University of Molise, Contrada Fonte Lappone, 86090 Pesche, IS, Italy.

Department of Pharmacy, University of Salerno, Via Giovanni Paolo II 132, 84084 Fisciano, SA, Italy.

出版信息

Foods. 2024 Jul 20;13(14):2282. doi: 10.3390/foods13142282.

Abstract

L. is commonly used in folk medicine in the form of infusion or decoction to treat gastrointestinal diseases and flatulence as a carminative, antiseptic, and anti-inflammatory agent. In this study, the essential oil (EO) composition of wild-grown L. leaves collected from seven different altitudinal locations in the Molise region and adjacent regions (Abruzzo and Campania) was investigated. EOs from the leaves were obtained by hydrodistillation and analyzed by GC-FID and GC/MS, and 78 compounds were identified. The major oil components were 1,8-cineol (43.52-31.31%), methyl-eugenol (14.96-4.07%), α-terpinyl acetate (13.00-8.51%), linalool (11.72-1.08%), sabinene (10.57-4.85%), α-pinene (7.41-3.61%), eugenol (4.12-1.97%), and terpinen-4-ol (2.33-1.25%). Chemometric techniques have been applied to compare the chemical composition. To shed light on the nutraceutical properties of the main hydrophobic secondary metabolites (≥1.0%) of laurel EOs, we assessed the in vitro antioxidant activities based on 2,2-diphenyl-1-picrylhydrazyl (DPPH•) radical scavenging activity and the reducing antioxidant power by using a ferric reducing power (FRAP) assay. Furthermore, we highlighted the anti-inflammatory effects of seven EOs able to interfere with the enzyme soluble epoxide hydrolase (sEH), a key enzyme in the arachidonic acid cascade, in concentrations ranging from 16.5 ± 4.3 to 8062.3 ± 580.9 mg/mL. Thanks to in silico studies, we investigated and rationalized the observed anti-inflammatory properties, ascribing the inhibitory activity toward the disclosed target to the most abundant volatile phytochemicals (≥1.0%) of seven EOs.

摘要

月桂常用于民间医学,以浸剂或煎剂的形式作为驱风剂、防腐剂和抗炎剂来治疗胃肠道疾病和肠胃胀气。在本研究中,对从莫利塞地区及相邻地区(阿布鲁佐和坎帕尼亚)七个不同海拔位置采集的野生月桂叶的精油(EO)成分进行了研究。通过水蒸馏法从叶片中获得精油,并采用气相色谱 - 火焰离子化检测器(GC - FID)和气相色谱/质谱联用仪(GC/MS)进行分析,共鉴定出78种化合物。主要的油成分有1,8 - 桉叶素(43.52 - 31.31%)、甲基丁香酚(14.96 - 4.07%)、α - 萜品醇乙酸酯(13.00 - 8.51%)、芳樟醇(11.72 - 1.08%)、桧烯(10.57 - 4.85%)、α - 蒎烯(7.41 - 3.61%)、丁香酚(4.12 - 1.97%)和萜品-4-醇(2.33 - 1.25%)。已应用化学计量技术来比较其化学成分。为了阐明月桂精油主要疏水性次生代谢产物(≥1.0%)的营养特性,我们基于2,2 - 二苯基 - 1 - 苦基肼基(DPPH•)自由基清除活性和使用铁还原能力(FRAP)测定法的还原抗氧化能力评估了体外抗氧化活性。此外,我们强调了七种精油的抗炎作用,这些精油能够在浓度范围为16.5 ± 4.3至8062.3 ± 580.9毫克/毫升时干扰可溶性环氧化物水解酶(sEH),这是花生四烯酸级联反应中的关键酶。通过计算机模拟研究,我们对观察到的抗炎特性进行了研究并做出合理解释,将对公开靶点的抑制活性归因于七种精油中含量最丰富的挥发性植物化学物质(≥1.0%)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4e18/11276180/dbe058439331/foods-13-02282-g001.jpg

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