基于三重四级杆质谱仪的一种定向细胞结合的植物化学组分筛选策略:发现中药制剂消癌平注射液中的潜在生物活性成分

doi:10.5246/jcps.2023.02.008

中国药学(英文版) ›› 2023, Vol. 32 ›› Issue (2): 101-111.DOI: 10.5246/jcps.2023.02.008

基于三重四级杆质谱仪的一种定向细胞结合的植物化学组分筛选策略:发现中药制剂消癌平注射液中的潜在生物活性成分

饶志, 魏玉辉^*()

兰州大学第一医院药剂科, 甘肃兰州 730000

收稿日期:2022-10-29 修回日期:2022-11-20 接受日期:2022-12-14 出版日期:2023-02-28 发布日期:2023-02-28
通讯作者: 魏玉辉
作者简介:
+ Tel.: +86-13919489133, E-mail: yhwei@lzu.edu.cn
基金资助:
The Natural Science Foundation of Gansu Province (Grant No. 21JR7RA353), the First Hospital of Lanzhou University Science Foundations (Grant No. ldyyyn2018-08), and the Research Foundation of Education Bureau of Gansu Province, China (Grant No. 2020B-001).

A cell-combining-oriented phytochemical screening strategy using triple quadrupole mass spectrometry for the investigation of potential bioactive candidates in Chinese traditional medicine preparation Xiao-ai-ping injection

Zhi Rao, Yuhui Wei^*()

Department of Pharmacy, the First Hospital of Lanzhou University, Lanzhou 730000, Gansu, China

Received:2022-10-29 Revised:2022-11-20 Accepted:2022-12-14 Online:2023-02-28 Published:2023-02-28
Contact: Yuhui Wei

摘要/Abstract

摘要：

消癌平注射液(XAP-I)提取自通关藤, 在我国临床上广泛用于治疗各种癌症, 而从其复杂组分中阐释生物活性成分一直是学界研究的热点内容。本文结合三重四级杆质谱仪中的全扫描(full scan, FS)、母离子扫描(precursor ion scan, PCIS)、子离子扫描(product ion, PDIS)及多反应监测(multiple reaction monitoring, MRM)模式鉴定了XAP-I中的主要孕甾烷糖苷及酚酸类成分, 可利用丰富的加合离子信息确定组分结构特性并实现高灵敏度分析。此外, 本文应用定向细胞结合植物化学组分筛选策略以发现XAP-I中的生物活性成分, 该策略可实现对XAP-I的高通量定性、定量分析, 并显著提高XAP-I潜在生物活性成分筛选的灵敏度及选择性。

关键词: 消癌平注射液, 三重四级杆质谱仪, 筛选, 生物活性候选成分, HepaRG细胞

Abstract:

Xiao-ai-ping injection (XAP-I), obtained from the extract of Marsdenia tenacissima stem, is widely used for the treatment of various cancers in China, and the suitable methods to elucidate bioactive compounds from the complex mixtures of XAP-I have stirred up great enthusiasm for many investigators. In the present study, we identified the major pregnane oligoglycoside and phenolic acid components of XAP-I using an improved triple quadrupole mass spectrometry (QqQ-MS) detection. Moreover, a combination of full scan (FS), precursor ion scan (PCIS), product ion scan (PDIS), and multiple reaction monitoring (MRM) modes could take advantage of extensive adduct formation to analyze the identity of ingredients and provide the ingredient profiling in XAP-I with high sensitivity. Furthermore, the cell-combining-oriented phytochemical screening strategy was used to screen bioactive ingredients of XAP-I. This strategy could achieve a high-throughput qualitative and quantitative analysis of XAP-I for screening potential bioactive candidates of XAP-I sensitively and selectively.

Key words: Xiao-ai-ping injection, Triple quadrupole mass spectrometry, Screening, Bioactive candidates, HepaRG cells

Supporting: /attached/file/20230302/20230302162500_130.pdf

饶志, 魏玉辉. 基于三重四级杆质谱仪的一种定向细胞结合的植物化学组分筛选策略:发现中药制剂消癌平注射液中的潜在生物活性成分[J]. 中国药学(英文版), 2023, 32(2): 101-111.

Zhi Rao, Yuhui Wei. A cell-combining-oriented phytochemical screening strategy using triple quadrupole mass spectrometry for the investigation of potential bioactive candidates in Chinese traditional medicine preparation Xiao-ai-ping injection[J]. Journal of Chinese Pharmaceutical Sciences, 2023, 32(2): 101-111.

图/表 8

Figure 1. The cell-combining-oriented phytochemical screening strategy was used to investigate the potential bioactive candidates in XAP-I by LC-QqQ-MS. MRM: multiple reaction monitoring, PCIS: precursor ion scan, FS: full scan; PDIS: product ion scan; DMRM: dynamic multiple reaction monitoring.

Table 1. The information for MRM parameters used for characterization of phenolic acids in XAP-I.

Figure 2. The chemical structures of pregnane oligoglycosides.

Figure 3. The full scan (A) and product ion (B) spectra of typical pregnane oligoglycoside using LC-MS/MS.

Figure 4. The typical pregnane oligoglycoside dissociation pathways of [M + Na]+ using the product ion mode.

Figure 5. The typical pregnane oligoglycoside dissociation pathways of [M + NH4]+ using the product ion mode.

Table 2. The bioactive candidates with HepaRG cells in XAP-I.

Figure 6. The chromatograms of phenolic acids and pregnane oligoglycosides in HapaRG cells that were incubated with XIP-I.

参考文献 18

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基于三重四级杆质谱仪的一种定向细胞结合的植物化学组分筛选策略:发现中药制剂消癌平注射液中的潜在生物活性成分

A cell-combining-oriented phytochemical screening strategy using triple quadrupole mass spectrometry for the investigation of potential bioactive candidates in Chinese traditional medicine preparation Xiao-ai-ping injection

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