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柴黄的液相色谱-串联质谱鉴定及其镇痛和伤口愈合活性:体内和计算机模拟方法

The LC-MS/MS Identification and Analgesic and Wound Healing Activities of Chaix: In Vivo and In Silico Approaches.

作者信息

Slighoua Meryem, Chebaibi Mohamed, Mahdi Ismail, Amrati Fatima Ez-Zahra, Conte Raffaele, Cordero Mary Anne W, Alotaibi Amal, Saghrouchni Hamza, Agour Abdelkrim, Zair Touria, Bari Amina, Bousta Dalila

机构信息

Laboratory of Biotechnology, Environment, Agro-Food and Health (LBEAS), Faculty of Sciences, Sidi Mohamed Ben Abdellah University, Fez 30050, Morocco.

Biomedical and Translational Research Laboratory, Faculty of Medicine and Pharmacy of the Fez, Sidi Mohamed Ben Abdellah University, B.P. 1893, Km 22, Road of Sidi Harazem, Fez 30000, Morocco.

出版信息

Plants (Basel). 2022 Nov 24;11(23):3222. doi: 10.3390/plants11233222.

DOI:10.3390/plants11233222
PMID:36501262
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9738568/
Abstract

We earlier emphasized in vivo the lavender plant's ( Chaix.) anti-inflammatory and estrogenic activities and described the chemical compositions of its hydro-ethanolic (HE) extract. We used LC-MS/MS and GC-MS analyses to profile the phytochemical composition of the HE extract and to assess the analgesic and wound-healing effects of both the hydro-ethanolic (HE) and polyphenolic (LOP) extracts in vivo and in silico. The analgesic activity was studied using two methods: acetic acid and formalin injections in mice. The wound-healing activity was carried out over 25 days using a burn model in rats. In the in silico study, the polyphenols identified in the plant were docked in the active sites of three enzymes: casein kinase-1, cyclooxygenase-2, and glycogen synthase kinase-3β. The LC-MS/MS identified some phenolic compounds, mainly apigenin, catechin, and myricetin, and the GC-MS analysis revealed the presence of 19 volatile compounds with triazole, D-glucose, hydroxyphenyl, and D-Ribofuranose as the major compounds. The HE and LOP extracts showed significant decreases in abdominal writhes, and the higher licking time of the paw (57.67%) was observed using the LOP extract at 200 mg/kg. Moreover, both extracts showed high healing percentages, i.e., 99.31 and 92.88%, compared to the control groups, respectively. The molecular docking showed that myricetin, amentoflavone, apigenin, and catechin are the most active molecules against the three enzyme receptors. This study sheds light on the potential of Chaix as a source of natural products for pharmaceutical applications for analgesic purposes as well as their utility in promoting burn-healing activity.

摘要

我们之前在体内研究中强调了薰衣草属植物(Chaix.)的抗炎和雌激素活性,并描述了其水乙醇提取物(HE)的化学成分。我们使用液相色谱-串联质谱(LC-MS/MS)和气相色谱-质谱(GC-MS)分析来剖析HE提取物的植物化学成分,并在体内和计算机模拟中评估水乙醇提取物(HE)和多酚提取物(LOP)的镇痛和伤口愈合效果。使用两种方法研究镇痛活性:给小鼠注射醋酸和福尔马林。使用大鼠烧伤模型在25天内进行伤口愈合活性研究。在计算机模拟研究中,在该植物中鉴定出的多酚与三种酶的活性位点进行对接:酪蛋白激酶-1、环氧化酶-2和糖原合酶激酶-3β。LC-MS/MS鉴定出一些酚类化合物,主要是芹菜素、儿茶素和杨梅素,GC-MS分析揭示了19种挥发性化合物的存在,其中三唑、D-葡萄糖、羟基苯基和D-核糖呋喃糖为主要化合物。HE和LOP提取物均使腹部扭体次数显著减少,在200mg/kg剂量下使用LOP提取物时观察到爪舔时间延长幅度更高(57.67%)。此外,与对照组相比,两种提取物均显示出较高的愈合百分比,分别为99.31%和92.88%。分子对接表明,杨梅素、穗花杉双黄酮、芹菜素和儿茶素是针对这三种酶受体的最具活性的分子。本研究揭示了薰衣草属植物作为用于镇痛目的的药物应用天然产物来源的潜力,以及它们在促进烧伤愈合活性方面的效用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/57c1c6edd1e4/plants-11-03222-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/7d22fe38ca6c/plants-11-03222-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/c82cc2815414/plants-11-03222-g002.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/96987b9a727c/plants-11-03222-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/e9d73e40d07c/plants-11-03222-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/a9d561988100/plants-11-03222-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/707253cb2209/plants-11-03222-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/57c1c6edd1e4/plants-11-03222-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/7d22fe38ca6c/plants-11-03222-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/d5c3e7224d78/plants-11-03222-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/ca1795a9dd76/plants-11-03222-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/96987b9a727c/plants-11-03222-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/e9d73e40d07c/plants-11-03222-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/a9d561988100/plants-11-03222-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/707253cb2209/plants-11-03222-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ae48/9738568/57c1c6edd1e4/plants-11-03222-g009.jpg

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