Labib Rola M, Srivedavyasasri Radhakrishnan, Youssef Fadia S, Ross Samir A
Department of Pharmacognosy, Faculty of Pharmacy, Ain Shams University, 11566 Cairo, Egypt.
National Center for Natural Products Research, University of Mississippi, MS 38677, USA.
Saudi Pharm J. 2018 Mar;26(3):437-444. doi: 10.1016/j.jsps.2017.12.017. Epub 2017 Dec 29.
is highly popular as a potent analgesic and anti-inflammatory agent; however its exact mechanism of action was not fully elucidated. We aimed to interpret the analgesic and anti-inflammatory activity of the total ethanol extract of bark (PRE) and its isolated compounds by both molecular modelling and cannabinoid and opioid binding activities evaluation for the first time. Comprehensive phytochemical investigation of PRE resulted in the isolation of sixteen compounds that were fully elucidated using H NMR and C NMR. Four of which namely 1,3,7-trihydroxyxanthone (), 2,4,7-trihydroxyxanthone (), isopimaric acid () and 3-methoxy-14-serraten-21-one () were first to be isolated from PRE. molecular modelling was done using Accelry's discovery studio 2.5 on the cannabinoid receptor (CB1) and the different opioid receptors ( Results showed that the different isolated constituents exhibited variable degrees of binding with the different examined receptors that undoubtedly explained the observed analgesic and anti-inflammatory activity of PRE. Thus evaluation of cannabinoid (CB1, CB2) and opioid (μ, κ, δ) binding activities for the isolated compounds was done. PRE and ursolic acid () showed a good CB1 receptor binding activity with 66.8 and 48.1% binding, respectively. Isopimaric acid () showed good CB2 and receptors binding activity estimated by 58.1 and 29.1% binding, respectively. Meanwhile, querectin-3--rhamnoside () exhibited a moderate κ-opioid receptor activity showing 56.0% binding. Thus, PRE could offer a natural analgesic and anti-inflammatory candidate through the synergistic action of all its components.
作为一种强效镇痛和抗炎剂，它非常受欢迎；然而其确切作用机制尚未完全阐明。我们旨在首次通过分子建模以及大麻素和阿片样物质结合活性评估来解释树皮总乙醇提取物（PRE）及其分离化合物的镇痛和抗炎活性。对PRE进行了全面的植物化学研究，从中分离出16种化合物，并通过氢核磁共振（H NMR）和碳核磁共振（C NMR）对其进行了充分鉴定。其中四种化合物，即1,3,7 - 三羟基呫吨酮、2,4,7 - 三羟基呫吨酮、异海松酸和3 - 甲氧基 - 14 - 锯齿烯 - 21 - 酮首次从PRE中分离得到。使用Accelry's discovery studio 2.5对大麻素受体（CB1）和不同的阿片样物质受体进行了分子建模（结果表明，不同的分离成分与不同检测受体表现出不同程度的结合，这无疑解释了PRE所观察到的镇痛和抗炎活性。因此，对分离化合物的大麻素（CB1、CB2）和阿片样物质（μ、κ、δ）结合活性进行了评估。PRE和熊果酸分别显示出良好的CB1受体结合活性，结合率分别为66.8%和48.1%。异海松酸分别显示出良好的CB2和[此处受体名称缺失]受体结合活性，结合率估计分别为58.1%和29.1%。同时，槲皮素 - 3 - [此处糖基名称缺失] - 鼠李糖苷表现出中等的κ - 阿片样物质受体活性，结合率为56.0%。因此，PRE可以通过其所有成分的协同作用提供一种天然的镇痛和抗炎候选物。
