Institute of Biosciences, UNESP - São Paulo State University, São Vicente, SP, Brazil.
Faculty of Health Sciences, Federal University of Grande Dourados, Dourados, MS, Brazil.
J Ethnopharmacol. 2022 Oct 5;296:115220. doi: 10.1016/j.jep.2022.115220. Epub 2022 Mar 28.
Leaves from Psychotria poeppigiana Müll. Arg. (accepted as Palicourea tomentosa (Aubl.) Borhidi), Rubiaceae, has traditionally been used in medicine for treatments of inflammation and pain; Synonymously, Cephaelis elata for the treatment of dementia; However, few scientific studies have been evidence demonstrating this activity.
The aim of this study was to investigate the chemical composition of P. poeppigiana essential oil obtained from leaves (EOPP) and its antioxidant, anti-inflammatory and acetylcholinesterase (AChE) activities. Molecular docking simulations were carried out with the main constituents.
EOPP (hydrodistillation) was analysed by gas chromatography-mass spectrometry (GC-MS). The fractionation of EOPP afforded germacrene D and bicyclogermacrene. The antioxidant activity of EOPP was determined by MDA assay. The inflammatory parameters were evaluated using CFA model (with paw edema, mechanical, thermal hyperalgesia, MPO and NAG) in EOPP (30, 100 and 300 mg/kg), germacrene D and bicyclogermacrene (30 mg/kg). The AChE inhibition was evaluated in rat brain structures and molecular docking simulations were carried out using Autodock v.4.3.2.
GC-MS analysis identified 19 compounds, and the major compounds were germacrene D (29.38%) and bicyclogermacrene (25.21%). EOPP exhibited high antioxidant capacity (IC = 12.78 ± 1.36 μg/mL). All the tested doses of EOPP and both major constituents significantly inhibited cold and mechanical hyperalgesia and significantly blocked the increase in MPO activity 24 h after the CFA injection. There was significant AChE inhibition by EOPP and germacrene D in the cerebral cortex and hippocampus (>50%). Enzyme-ligand molecular modelling showed that the major constituents of EOPP interacted differently with AChE.
The chemical compounds of the essential oil from the leaves of P. poeppigiana is based mainly on terpenes, the sesquiterpenes germacrene D (29.38%) and bicyclogermacrene (25.21%) being the major compounds. EOPP presented antioxidant, anti-inflammatory and anti-acetylcholinesterase (AChE) activities. Besides, enzyme-ligand molecular modelling showed the EOPP may act as an anti-hyperalgesic and AChE inhibitory agent. Taken together, these results might be in accordance with if folk use for pain- and inflammation-related symptoms.
Psychotria poeppigiana Müll. Arg.（被接受为 Palicourea tomentosa (Aubl.) Borhidi）的叶子，茜草科，传统上用于治疗炎症和疼痛；Synonymously，Cephaelis elata 用于治疗痴呆症；然而，很少有科学研究证明这种活性。
本研究旨在研究从叶子中获得的 Psychotria poeppigiana 精油（EOPP）的化学成分及其抗氧化、抗炎和乙酰胆碱酯酶（AChE）活性。主要成分进行了分子对接模拟。
通过气相色谱-质谱联用仪 (GC-MS) 分析 EOPP（水蒸气蒸馏）。EOPP 的馏分得到了大根香叶烯 D 和双环大根香叶烯。通过 MDA 测定法测定 EOPP 的抗氧化活性。使用 CFA 模型（爪肿胀、机械、热痛觉过敏、MPO 和 NAG）评估炎症参数，在 EOPP（30、100 和 300mg/kg）、大根香叶烯 D 和双环大根香叶烯（30mg/kg）中进行。使用 Autodock v.4.3.2 进行 AChE 抑制评估和分子对接模拟。
GC-MS 分析鉴定出 19 种化合物，主要化合物为大根香叶烯 D（29.38%）和双环大根香叶烯（25.21%）。EOPP 表现出高抗氧化能力（IC=12.78±1.36μg/mL）。EOPP 和两种主要成分的所有测试剂量均显著抑制冷和机械性痛觉过敏，并显著阻止 CFA 注射后 24 小时 MPO 活性的增加。EOPP 和大根香叶烯 D 在大脑皮层和海马体中对 AChE 有显著抑制作用（>50%）。酶-配体分子建模表明，精油的主要成分与 AChE 相互作用不同。
从 Psychotria poeppigiana 叶子中提取的精油的化学化合物主要基于萜类化合物，其中大根香叶烯 D（29.38%）和双环大根香叶烯（25.21%）是主要化合物。EOPP 具有抗氧化、抗炎和抗乙酰胆碱酯酶（AChE）活性。此外，酶-配体分子建模表明，EOPP 可能作为一种抗痛觉过敏和 AChE 抑制剂。综上所述，这些结果可能与民间用于治疗疼痛和炎症相关症状的用途相符。
