Metabolomics of Withania somnifera L. extracts by an integrated LC-MS and NMR approach and evaluation of their tyrosinase inhibitory activity

IF 3.1 3区医学 Q2 CHEMISTRY, ANALYTICAL

Journal of pharmaceutical and biomedical analysis Pub Date : 2024-10-24 DOI:10.1016/j.jpba.2024.116520

Luciana Maria Polcaro , Antonietta Cerulli , Milena Masullo , Sonia Piacente

{"title":"Metabolomics of Withania somnifera L. extracts by an integrated LC-MS and NMR approach and evaluation of their tyrosinase inhibitory activity","authors":"Luciana Maria Polcaro , Antonietta Cerulli , Milena Masullo , Sonia Piacente","doi":"10.1016/j.jpba.2024.116520","DOIUrl":null,"url":null,"abstract":"<div><div><em>Withania somnifera</em> L. (Solanaceae), for over 3000 years, has been considered an essential herb in Ayurvedic medicine. The roots of <em>W. somnifera</em> contain metabolites mainly belonging to steroidal lactones called withanolides, which possess various pharmacological activities such as neuroprotective, cardioprotective, anti-diabetic, antioxidant and anti-inflammatory. Since the demand on the market for <em>W. somnifera</em> extracts is increasing, with the aim to find an ecological and environmentally friendly strategy of extraction, the roots were submitted to different extraction techniques (macerations, ultrasound-assisted extraction and solid-liquid dynamic extraction) using EtOH:H<sub>2</sub>O 50:50, 75:25, 100:0. <em>W. somnifera</em> extracts were investigated by an integrated LC-ESI/QExactive/MS/MS and NMR approach to obtain comprehensive metabolite profiles. Principal Component Analysis of LC-MS and NMR data revealed how the extraction method and the solvent can affect the chemical profile of the extracts. Extracts obtained by maceration exhibited the highest amount of withanolides and withanosides, while the SLDE-Naviglio EtOH extract showed the highest amount of metabolites as benzoic acid, tropane alkaloids and sarcosine, reported for their CNS activity. Moreover, based on the use of this plant in the treatment of neurological disorders, the tyrosinase inhibitory activity of all the extracts was herein tested by spectrophotometric assay, showing IC<sub>50</sub> values in a range of 32.86–85.36 µg/ml.</div></div>","PeriodicalId":16685,"journal":{"name":"Journal of pharmaceutical and biomedical analysis","volume":null,"pages":null},"PeriodicalIF":3.1000,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of pharmaceutical and biomedical analysis","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0731708524005624","RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}

引用次数: 0

Abstract

Withania somnifera L. (Solanaceae), for over 3000 years, has been considered an essential herb in Ayurvedic medicine. The roots of W. somnifera contain metabolites mainly belonging to steroidal lactones called withanolides, which possess various pharmacological activities such as neuroprotective, cardioprotective, anti-diabetic, antioxidant and anti-inflammatory. Since the demand on the market for W. somnifera extracts is increasing, with the aim to find an ecological and environmentally friendly strategy of extraction, the roots were submitted to different extraction techniques (macerations, ultrasound-assisted extraction and solid-liquid dynamic extraction) using EtOH:H₂O 50:50, 75:25, 100:0. W. somnifera extracts were investigated by an integrated LC-ESI/QExactive/MS/MS and NMR approach to obtain comprehensive metabolite profiles. Principal Component Analysis of LC-MS and NMR data revealed how the extraction method and the solvent can affect the chemical profile of the extracts. Extracts obtained by maceration exhibited the highest amount of withanolides and withanosides, while the SLDE-Naviglio EtOH extract showed the highest amount of metabolites as benzoic acid, tropane alkaloids and sarcosine, reported for their CNS activity. Moreover, based on the use of this plant in the treatment of neurological disorders, the tyrosinase inhibitory activity of all the extracts was herein tested by spectrophotometric assay, showing IC₅₀ values in a range of 32.86–85.36 µg/ml.

查看原文本刊更多论文

采用 LC-MS 和 NMR 综合方法研究睡茄提取物的代谢组学并评估其酪氨酸酶抑制活性

3000 多年来，睡茄（茄科）一直被视为阿育吠陀医学中的一种重要草药。睡茄的根部含有主要属于甾类内酯的代谢物，称为睡茄内酯，具有多种药理活性，如神经保护、心脏保护、抗糖尿病、抗氧化和抗炎。由于市场对索曼叶草提取物的需求不断增加，为了找到一种生态和环境友好的提取策略，研究人员采用不同的提取技术（浸渍、超声辅助提取和固液动态萃取）对索曼叶草根进行了提取，提取物的EtOH:H2O比例分别为50:50、75:25和100:0。采用 LC-ESI/QExactive/MS/MS 和 NMR 综合方法对索姆尼佛拉提取物进行了研究，以获得全面的代谢物概况。LC-MS 和 NMR 数据的主成分分析揭示了提取方法和溶剂如何影响提取物的化学特征。浸渍法提取物中的山奈酚苷和山奈苷含量最高，而 SLDE-Naviglio EtOH 提取物中的苯甲酸、托烷生物碱和肌氨酸等代谢物含量最高，据报道它们具有中枢神经系统活性。此外，基于该植物在治疗神经系统疾病方面的用途，我们通过分光光度法测试了所有提取物的酪氨酸酶抑制活性，结果显示 IC50 值在 32.86-85.36 µg/ml 之间。

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

Journal of pharmaceutical and biomedical analysis 医学-分析化学

CiteScore

6.70

自引率

5.90%

发文量

588

审稿时长

37 days

期刊介绍： This journal is an international medium directed towards the needs of academic, clinical, government and industrial analysis by publishing original research reports and critical reviews on pharmaceutical and biomedical analysis. It covers the interdisciplinary aspects of analysis in the pharmaceutical, biomedical and clinical sciences, including developments in analytical methodology, instrumentation, computation and interpretation. Submissions on novel applications focusing on drug purity and stability studies, pharmacokinetics, therapeutic monitoring, metabolic profiling; drug-related aspects of analytical biochemistry and forensic toxicology; quality assurance in the pharmaceutical industry are also welcome. Studies from areas of well established and poorly selective methods, such as UV-VIS spectrophotometry (including derivative and multi-wavelength measurements), basic electroanalytical (potentiometric, polarographic and voltammetric) methods, fluorimetry, flow-injection analysis, etc. are accepted for publication in exceptional cases only, if a unique and substantial advantage over presently known systems is demonstrated. The same applies to the assay of simple drug formulations by any kind of methods and the determination of drugs in biological samples based merely on spiked samples. Drug purity/stability studies should contain information on the structure elucidation of the impurities/degradants.