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[植物名称]甲醇种子提取物的化学剖析、药理学见解及计算机模拟研究 (注:原文中“of”后面缺少具体植物名称)

Chemical Profiling, Pharmacological Insights and In Silico Studies of Methanol Seed Extract of .

作者信息

Alam Najmul, Banu Naureen, Aziz Md Arfin Ibn, Barua Niloy, Ruman Umme, Jahan Israt, Chy Farhana Jahan, Denath Susmita, Paul Arkajyoti, Chy Md Nazim Uddin, Sayeed Mohammed Aktar, Emran Talha Bin, Simal-Gandara Jesus

机构信息

Department of Pharmacy, International Islamic University Chittagong, Chittagong 4318, Bangladesh.

Drug Discovery, GUSTO A Research Group, Chittagong 4203, Bangladesh.

出版信息

Plants (Basel). 2021 Jun 3;10(6):1135. doi: 10.3390/plants10061135.

Abstract

, also known as jangli badam in Bangladesh, is a traditionally used plant that has pharmacological activities. A qualitative phytochemical analysis was performed to assess the metabolites in a methanolic extract of seeds (MESF), and the cytotoxic, thrombolytic, anti-arthritics, analgesic, and antipyretic activities were examined using in vitro, in vivo, and in silico experiments. Quantitative studies were performed through gas chromatography-mass spectroscopy (GC-MS) analysis. The brine shrimp lethality bioassays and clot lysis were performed to investigate the cytotoxic and thrombolytic activities, respectively. The anti-arthritics activity was assessed using the albumin denaturation assay. Analgesic activity was determined using the acetic acid-induced writhing test and the formalin-induced paw-licking test. A molecular docking study was performed, and an online tool was used to perform ADME/T (absorption, distribution, metabolism, and excretion/toxicity) and PASS (Prediction of Activity Spectra for Substances). GC-MS analysis identified 29 compounds in MESF, consisting primarily of phenols, terpenoids, esters, and other organic compounds. MESF showed moderate cytotoxic activity against brine shrimp and significant thrombolytic and anti-arthritics activities compared with the relative standards. The extract also showed a dose-dependent and significant analgesic and antipyretic activities. Docking studies showed that 1-azuleneethanol, acetate returned the best scores for the tested enzymes. These findings suggested that MESF represents a potent source of thrombolytic, anti-arthritic, analgesic, antipyretic agents with moderate cytotoxic effects.

摘要

在孟加拉国也被称为jangli badam,是一种传统上使用的具有药理活性的植物。进行了定性植物化学分析以评估种子甲醇提取物(MESF)中的代谢物,并使用体外、体内和计算机模拟实验研究了其细胞毒性、溶栓、抗关节炎、镇痛和解热活性。通过气相色谱 - 质谱(GC - MS)分析进行定量研究。分别进行卤虫致死率生物测定和血凝块溶解实验以研究细胞毒性和溶栓活性。使用白蛋白变性试验评估抗关节炎活性。使用醋酸诱导扭体试验和福尔马林诱导舔足试验测定镇痛活性。进行了分子对接研究,并使用在线工具进行ADME/T(吸收、分布、代谢和排泄/毒性)和PASS(物质活性谱预测)分析。GC - MS分析在MESF中鉴定出29种化合物,主要由酚类、萜类、酯类和其他有机化合物组成。与相关标准相比,MESF对卤虫显示出中等细胞毒性活性以及显著的溶栓和抗关节炎活性。该提取物还显示出剂量依赖性的显著镇痛和解热活性。对接研究表明,1 - 薁乙醇醋酸酯对测试酶的得分最佳。这些发现表明,MESF是一种具有中等细胞毒性作用的溶栓、抗关节炎、镇痛和解热剂的有效来源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2465/8227630/28f67334fcb9/plants-10-01135-g001.jpg

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