Phytochemistry and Biological Assessment of Thuja articulata Trunk Barks: HPLC-PDA-ESI-MS Analysis, Bioevaluation, and Molecular Docking

Q2 Pharmacology, Toxicology and Pharmaceutics

Current Bioactive Compounds Pub Date : 2023-06-07 DOI:10.2174/1573407219666230607154721

H. Ben Jannet, Faisal K. Algethami, Salma Jlizi, M. Znati, M. Elamin, N. Ben Hamadi

{"title":"Phytochemistry and Biological Assessment of Thuja articulata Trunk Barks: HPLC-PDA-ESI-MS Analysis, Bioevaluation, and Molecular Docking","authors":"H. Ben Jannet, Faisal K. Algethami, Salma Jlizi, M. Znati, M. Elamin, N. Ben Hamadi","doi":"10.2174/1573407219666230607154721","DOIUrl":null,"url":null,"abstract":"\n\nThuja articulata is a Mediterranean forest species from the Cupressaceae family, it has been used in popular medicine to treat several diseases. Various studies have been carried out in vitro using diverse T. articulata extracts to understand its traditional use.\n\n\n\nIn this study, the ethyl acetate extract of T. articulata trunk barks was chemically identified using HPLC-PDA-ESI-MS, then examined in vitro for its antioxidant and α-amylase inhibitory effects. A molecular docking study was also performed to reinforce the noted bioactivities.\n\n\n\nHPLC-PDA-ESI-MS analysis led to the identification of 22 polyphenolic compounds in the ethyl acetate extract of T. articulata trunk barks. This extract revealed interesting in vitro antioxidant properties and a significant α-amylase inhibitory action (IC50= 16.08 ± 1.27 μg/mL). In silico analysis was found to agree with the in vitro studies in which major constituents of the ethyl acetate extract revealed low binding energy and a correct mode of interaction in the active pocket of the enzyme (PDB: 7TAA). The anti--amylase potential could be due either to a synergistic or individual action of certain constituents present in this extract.\n\n\n\nThis study illustrates that the ethyl acetate extract of T. articulata trunk barks has potent sources of antioxidants and α-amylase inhibitors to be explored.\n","PeriodicalId":10772,"journal":{"name":"Current Bioactive Compounds","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2023-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current Bioactive Compounds","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2174/1573407219666230607154721","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"Pharmacology, Toxicology and Pharmaceutics","Score":null,"Total":0}

引用次数: 0

Abstract

Thuja articulata is a Mediterranean forest species from the Cupressaceae family, it has been used in popular medicine to treat several diseases. Various studies have been carried out in vitro using diverse T. articulata extracts to understand its traditional use. In this study, the ethyl acetate extract of T. articulata trunk barks was chemically identified using HPLC-PDA-ESI-MS, then examined in vitro for its antioxidant and α-amylase inhibitory effects. A molecular docking study was also performed to reinforce the noted bioactivities. HPLC-PDA-ESI-MS analysis led to the identification of 22 polyphenolic compounds in the ethyl acetate extract of T. articulata trunk barks. This extract revealed interesting in vitro antioxidant properties and a significant α-amylase inhibitory action (IC50= 16.08 ± 1.27 μg/mL). In silico analysis was found to agree with the in vitro studies in which major constituents of the ethyl acetate extract revealed low binding energy and a correct mode of interaction in the active pocket of the enzyme (PDB: 7TAA). The anti--amylase potential could be due either to a synergistic or individual action of certain constituents present in this extract. This study illustrates that the ethyl acetate extract of T. articulata trunk barks has potent sources of antioxidants and α-amylase inhibitors to be explored.

查看原文本刊更多论文

胡柏树干树皮的植物化学和生物学评价:HPLC-PDA-ESI-MS分析、生物评价和分子对接

牙合木（Thuja articulata）是柏科地中海森林物种，已被广泛用于治疗多种疾病。为了了解其传统用途，已经在体外使用不同的关节T.articulata提取物进行了各种研究。本研究采用HPLC-PDA-ESI-MS对牙合木树干皮乙酸乙酯提取物进行了化学鉴定，并在体外检测了其抗氧化和抑制α-淀粉酶的作用。还进行了分子对接研究，以增强上述生物活性。HPLC-PDA-ESI-MS分析鉴定了牙合木树干树皮乙酸乙酯提取物中的22种多酚类化合物。该提取物显示出有趣的体外抗氧化特性和显著的α-淀粉酶抑制作用（IC50=16.08±1.27μg/mL）。发现计算机分析与体外研究一致，其中乙酸乙酯提取物的主要成分显示出低结合能和酶活性口袋中正确的相互作用模式（PDB:7TAA）。反--淀粉酶的潜力可能是由于该提取物中某些成分的协同作用或单独作用。这项研究表明，关节木树干树皮的乙酸乙酯提取物具有强大的抗氧化剂和α-淀粉酶抑制剂来源，有待探索。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Current Bioactive Compounds Pharmacology, Toxicology and Pharmaceutics-Pharmacology, Toxicology and Pharmaceutics (all)

CiteScore

1.90

自引率

0.00%

发文量

112

期刊介绍： The journal aims to provide comprehensive review articles on new bioactive compounds with proven activities in various biological screenings and pharmacological models with a special emphasis on stereoeselective synthesis. The aim is to provide a valuable information source of bioactive compounds synthesized or isolated, which can be used for further development of pharmaceuticals by industry and academia. The journal should prove to be essential reading for pharmacologists, natural product chemists and medicinal chemists who wish to be kept informed and up-to-date with the most important developments on new bioactive compounds of natural or synthetic origin, including their stereoeselective synthesis.