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基于化学计量学的印度防己茎中地理、季节和性别差异的特定化学标志物的鉴定与验证:采用高效液相色谱-电喷雾电离-四极杆飞行时间质谱分析

Chemometric Based Identification and Validation of Specific Chemical Markers for Geographical, Seasonal and Gender Variations in Tinospora cordifolia Stem using HPLC-ESI-QTOF-MS Analysis.

作者信息

Bajpai Vikas, Kumar Sunil, Singh Awantika, Singh Jyotsana, Negi M P S, Bag Sumit Kumar, Kumar Nikhil, Konwar Rituraj, Kumar Brijesh

机构信息

Sophisticated Analytical Instrument Facility, CSIR - Central Drug Research Institute, Lucknow, -226001, India.

Academy of Scientific and Innovative Research, New Delhi, -110001, India.

出版信息

Phytochem Anal. 2017 Jul;28(4):277-288. doi: 10.1002/pca.2673. Epub 2017 Jan 23.

Abstract

INTRODUCTION

Tinospora cordifolia is a widely distributed medicinal plant used in various traditional and commercial Ayurvedic formulations. Due to the wide use of this plant it is important to know the extent of variability in the metabolite profile resulting from geographical location, season and gender.

OBJECTIVE

To develop a statistical approach based on phytochemical markers for confident prediction of variations in metabolic profile and cytotoxicity due to geographical, seasonal and gender difference in T. cordifolia stem.

METHODS

A HPLC-ESI-QTOF-MS method was used for the metabolite profiling of T. cordifolia stem. The data were analysed using chemometric methods including Student's t-test, ANOVA, FA/PCA and ROC curve analysis and validated for the identification of chemical variations. The bioactivity of selected samples was also tested using a cell cytotoxicity assay to assess the functional aspect of the phytochemical variability.

RESULTS

The chemometric approach applied here identified marker ions for geographical locations (m/z 294.1139 and 445.2136), seasons (m/z 344.1482, 359.1501, and 373.1305) and gender (m/z 257.1380) with 100% statistical sensitivity and specificity. An in vitro cytotoxicity evaluation revealed that male T. cordifolia stem was the most effective in inhibiting the growth of cancerous cell lines.

CONCLUSIONS

The developed and validated chemometric approach identified the analytical markers for phytochemical variations in unknown T. cordifolia stem samples from male or female plants and samples collected from different geographical locations and seasons. The results are supported by comparative cytotoxic activity data. Copyright © 2017 John Wiley & Sons, Ltd.

摘要

引言

心叶青牛胆是一种广泛分布的药用植物,用于各种传统和商业阿育吠陀配方中。由于这种植物的广泛使用,了解地理位置、季节和性别导致的代谢物谱变异程度很重要。

目的

开发一种基于植物化学标记物的统计方法,用于可靠预测心叶青牛胆茎因地理、季节和性别差异而导致的代谢谱和细胞毒性变化。

方法

采用高效液相色谱-电喷雾-四极杆飞行时间质谱法对心叶青牛胆茎进行代谢物谱分析。使用包括学生t检验、方差分析、因子分析/主成分分析和ROC曲线分析在内的化学计量学方法对数据进行分析,并对化学变异的鉴定进行验证。还使用细胞毒性试验测试了所选样品的生物活性,以评估植物化学变异性的功能方面。

结果

此处应用的化学计量学方法确定了地理位置(m/z 294.1139和445.2136)、季节(m/z 344.1482、359.1501和373.1305)和性别(m/z 257.1380)的标记离子,统计灵敏度和特异性均为100%。体外细胞毒性评估显示,雄性心叶青牛胆茎在抑制癌细胞系生长方面最有效。

结论

所开发并经验证的化学计量学方法确定了来自雄性或雌性植物以及从不同地理位置和季节采集的未知心叶青牛胆茎样品中植物化学变异的分析标记物。比较细胞毒性活性数据支持了这些结果。版权所有© 2017约翰威立父子有限公司。

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