{"title":"Four new sesquiterpenes from Carpesium faberi","authors":"Xiang-yu Zheng , Hong-xu Wan","doi":"10.1016/j.phytol.2024.04.001","DOIUrl":null,"url":null,"abstract":"<div><p>Four undescribed sesquiterpenes, namely faberivax A-B (<strong>1</strong>-<strong>2</strong>) and faberine A-B (<strong>3</strong>-<strong>4</strong>), were isolated from the whole plant of <em>Carpesium faberi</em>, along with nine known sesquiterpenes (<strong>5</strong>−<strong>13</strong>). The structures were identified using NMR, HRESIMS, and ECD analysis, and by comparing them with literature data. To initially explore the presence of multidrug resistance (MDR) reversal activities, molecular docking was conducted to explore the binding energies and conformations between all the isolates and P-glycoprotein. The computed binding energy data suggested that six sesquiterpenes docked into the P-glycoprotein with good binding affinity as evidenced by the lower computed binding energies ranging between −7.14 to −7.85 kcal/mol.</p></div>","PeriodicalId":20408,"journal":{"name":"Phytochemistry Letters","volume":"61 ","pages":"Pages 171-176"},"PeriodicalIF":1.3000,"publicationDate":"2024-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Phytochemistry Letters","FirstCategoryId":"99","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1874390024000570","RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, MEDICINAL","Score":null,"Total":0}
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Abstract
Four undescribed sesquiterpenes, namely faberivax A-B (1-2) and faberine A-B (3-4), were isolated from the whole plant of Carpesium faberi, along with nine known sesquiterpenes (5−13). The structures were identified using NMR, HRESIMS, and ECD analysis, and by comparing them with literature data. To initially explore the presence of multidrug resistance (MDR) reversal activities, molecular docking was conducted to explore the binding energies and conformations between all the isolates and P-glycoprotein. The computed binding energy data suggested that six sesquiterpenes docked into the P-glycoprotein with good binding affinity as evidenced by the lower computed binding energies ranging between −7.14 to −7.85 kcal/mol.
期刊介绍：
Phytochemistry Letters invites rapid communications on all aspects of natural product research including:
• Structural elucidation of natural products
• Analytical evaluation of herbal medicines
• Clinical efficacy, safety and pharmacovigilance of herbal medicines
• Natural product biosynthesis
• Natural product synthesis and chemical modification
• Natural product metabolism
• Chemical ecology
• Biotechnology
• Bioassay-guided isolation
• Pharmacognosy
• Pharmacology of natural products
• Metabolomics
• Ethnobotany and traditional usage
• Genetics of natural products
Manuscripts that detail the isolation of just one new compound are not substantial enough to be sent out of review and are out of scope. Furthermore, where pharmacology has been performed on one new compound to increase the amount of novel data, the pharmacology must be substantial and/or related to the medicinal use of the producing organism.
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