基于多元统计分析和网络药理学的升麻蜜炙前后化学成分及潜在活性差异分析

中国医药导刊 ›› 2022, Vol. 24 ›› Issue (2): 156-163.

基于多元统计分析和网络药理学的升麻蜜炙前后化学成分及潜在活性差异分析

焦广洋1，2，3，范香成1，3，郭淑婷3，4，庄婧妍3，5，闻韬1，3，黄豆豆2，3，孙连娜3，5，庞涛1，3，张凤1，3*，陈万生1,2，3*

1.中国人民解放军海军军医大学第二附属医院药剂科，上海 200003；
2.上海中医药大学中药研究所，上海 201203； 3.上海市药物（中药）代谢产物研究重点实验室，上海 200433； 4.上海交通大学医学院附属新华医院崇明分院药剂科，上海 202150； 5.上海中医药大学中药学院，上海 201203

收稿日期:2022-02-11 修回日期:2022-01-22 出版日期:2022-02-28 发布日期:2022-02-28
基金资助:
国家自然科学基金资助项目（项目编号:81830109；项目名称：基于临床真实世界证据的中药质量标志物的发现与确认）；金字塔人才工程（项目编号：0806，1016）；上海市大学生创新创业训练计划项目（项目编号：S202110268025；项目名称：升麻生品及不同炮制品中化学成分的UPLC-Q-TOF/MS分析）

Comparison on Chemical Components and Possible Pharmacology Activities between Raw and Honey-processing Cimicifugae Rhizoma Based on Multivariate Statistical Analysis and Network Pharmacology

1.Department of Pharmacy, Changzheng Hospital, Naval Medical University (Second Military Medical University), Shanghai 200003, China; 2.Institute of Traditional Chinese Medicine, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China; 3.Shanghai Key Laboratory for Pharmaceutical Metabolite Research, Shanghai 200433, China; 4.Department of Pharmacy, Xinhua Hospital Chongming Branch, Shanghai 202150, China; 5.School of Traditional Chinese Pharmacy, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China

Received:2022-02-11 Revised:2022-01-22 Online:2022-02-28 Published:2022-02-28
Contact: Wan shengChen E-mail:fengzhangky@aliyun.com

摘要/Abstract

摘要： 目的：分析升麻蜜炙前后的化学成分差异，并初步探讨蜜炙对升麻潜在药理活性的影响；方法：以辽宁产升麻为例，基于超高效液相色谱结合四极杆飞行时间质谱（UHPLC-Q-TOF-MS）技术对5批生品及其蜜炙品进行质谱数据采集，原始数据经过MS-DIAL软件处理后，通过Metaboanalyst网站进行多元统计分析筛选并鉴定升麻蜜炙前后的差异化学成分，并进一步通过网络药理学分析显著差异成分的相关靶点及通路，探究其功效存在差异的机制。结果：筛选并鉴定出15种差异成分，包括三萜类成分8种，色原酮类成分2种，酚酸类成分2种，脂肪酸类成分3种；热图分析发现Sinapic acid、Palmitic acid、Cimicifugoside H-1、Linoeic acid、Cimicidanol、Cimidahurine、Cimicifugic acid E、Visnagin、Cimiacerogenin B等9种成分在生品中的相对含量较高，其余6种成分如Cimigenol-3-one、26-Deoxycimicifugoside等在蜜炙品中相对含量较高；基于网络药理学研究发现，生品含量较高的成分富集到的通路主要与调节神经系统、调节免疫、调节内分泌系统等相关，而Cimicifugic acid E、Sinapic acid等成分可能为生品的关键活性成分；蜜炙品中含量较高的成分主要与调节消化系统、调节脂质代谢等相关，这与升麻生品及其蜜炙品的临床应用范围相一致，而Lauric acid、26-Deoxyactein等可能为蜜炙品的关键活性成分。结论：该研究通过多元统计分析及网络药理学技术初步明确了升麻蜜炙前后的化学成分及潜在活性差异，为阐明升麻蜜炙前后物质基础的变化及潜在活性机制研究提供参考。

关键词: font-size:medium, ">升麻；蜜炙；UHPLC-Q-TOF-MS；化学成分；多元统计分析；网络药理学

Abstract: Objective：To analyze the difference in chemical composition and possible pharmacology activities between the raw and honey-processing Cimicifugae Rhizoma.Methods：Taking Cimicifugae Rhizoma from Liaoning province as an example,UHPLC-Q-TOF-MS was used to analyze the main compounds in the raw and honey-processing decoction pieces, and the potential differences of chemical components were screened out by using multiple statistical methods. These compounds were involved in the subsequent “component-target-pathway” analysis by using network pharmacology methodology. Results：Fifteen different components were identified by the comparison of the chemical components between the raw and honey-processing Cimicifugae Rhizoma, including eight triterpenoids, two chromones, two phenolic acids, and three fatty acids. Heatmap analysis revealed that Sinapic acid, Palmitic acid, Cimicifugoside H-1, Linoeic acid, Cimicidanol, Cimidahurine, Cimicifugic acid E, Visnagin, Cimiacerogenin B in raw products were higher than those in the honey-processing products, while the other six ingredients such as Cimigenol-3-one and 26-Deoxycimicifugoside were higher in the honey-processing products than those in the raw products. Network pharmacology revealed that the compounds in relative high contents from the raw Cimicifugae Rhizoma could regulate the nervous system, the immunity system, and the endocrine system, and Cimicifugic acid E, Sinapic acid may be the key active components of raw products, while those from honey-processing Cimicifugae Rhizoma have influence on the digestive system and lipid metabolism, which is consistent with their pharmacological activities, and Lauric acid， 26-Deoxyactein may be the key active components of honey-processing Cimicifugae Rhizoma. Conclusion：In this study, the differences of chemical components and potential activities before and after honey-processing of Cimicifugae Rhizoma were preliminarily clarified through multivariate statistical analysis and network pharmacology technology. It provides a reference for clarifying the changes of material basis and potential activity mechanism of Cimicifugae Rhizoma before and after honey-processing.

Key words: Cimicifugae Rhizoma, Honey-processing, UHPLC-Q-TOF/MS, Chemical composition, Multivariate statistical analysis, Network pharmacology

中图分类号:

焦广洋, 范香成, 郭淑婷, 庄婧妍, 闻韬, 黄豆豆, 孙连娜, 庞涛, 张凤, 陈万生, . 基于多元统计分析和网络药理学的升麻蜜炙前后化学成分及潜在活性差异分析[J]. 中国医药导刊, 2022, 24(2): 156-163.

JIAO Guangyang, FAN Xiangcheng, GUO Shuting, ZHUANG Jingyan, WEN Tao, HUANG Doudou, SUN Lianna, PANG Tao, ZHANG Feng, CHEN Wansheng, . Comparison on Chemical Components and Possible Pharmacology Activities between Raw and Honey-processing Cimicifugae Rhizoma Based on Multivariate Statistical Analysis and Network Pharmacology[J]. CHINESE JOURNAL OF MEDICINAL GUIDE, 2022, 24(2): 156-163.

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