Identification of Peptides in Aster tataricus by the Strategy of UHPLC-Q-TOF-MS/MS Combined with Molecular Network

被引：0
|
作者：
Chen S.-L. [1 ,2 ]
Liu J. [1 ,3 ]
Feng M.-H. [1 ]
Li Y.-T. [1 ]
Jia Z.-X. [1 ,3 ]
Yang S. [3 ]
Xiao H.-B. [1 ,3 ]
机构：
[1] Research Center for Chinese Medicine Analysis and Trans formation, Beijing University of Chinese Medicine, Beijing
[2] Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences, Peking Union College, Beijing
[3] Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing
来源：
Journal of Chinese Mass Spectrometry Society | 2023年 / 44卷 / 03期
关键词：
Aster tataricus; molecular network; peptides; ultra high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS);
D O I：
10.7538/zpxb.2022.0120
中图分类号：
学科分类号：
摘要：
The root of Aster tataricus L. f. has been widely used in the clinic for moistening lung, dispelling phlegm and relieving cough because of its significant therapeutic effects on respiratory diseases. The modern pharmacological research shows that the characteristic peptide components of Aster tataricus have anti-tumor, anti-oxidation, immunosuppression and other effects. So far, a total of 24 peptide components including cyclic pentapeptides (Astin A-I, K-P), cyclic tetrapeptides (Tataricins A-B), linear pentapeptides (Asterinin A-F) and linear dipeptide (Aurantiamide acetate) were isolated from Aster tataricus. Therefore, it is necessary to systematically and comprehensively explore more potential peptides in Aster tataricus, lays a foundation for later separation. At present, the molecular network technology based on LC-MS/MS has been widely used in qualitative characterization of chemical components of traditional Chinese medicine and efficient discovery of natural bioactive molecules, which can identify known compounds, analogues and new compounds. In this study, the method of ultra high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS) combined with molecular network was developed for systematically and rapidly analyzing peptides in 75% ethanol extract of Aster tataricus. Chromatographic separation was performed on an ACQUITY UPLC® HSS T3 column (100 mmX2. 1 mmXl. 8 jum).Acetonitrile and water solution were used as the mobile phase for gradient elution with the flow rate of 0. 4 mL/min. The MS/MS analysis was carried out by the electrospray ionization (ESI) source at positive ion mode with scanning range of mlz 50-800, and then the data files were converted to the mzXML format by using MsConvert tools. The MS/MS data of 75% ethanol extract of Aster tataricus was converted on the platform of Global Natural Products Social Molecular Networking (GNPS), and the clusters were established according to the similarity of fragment ions, thus obtaining a molecular network. The network was exported and visualized using Cytoscapc v3. 8. 0. Through the visual display of fragment ions, the aggregation and distribution of fragment ions were clearly displayed, and the interaction between molecules was intuitively searched. Thus, through the similarity of MS/MS data, the peptide components were related to form a network. The peptides in Aster tataricus were further identified according to the MS/MS fragmentation information of standard substances, accurate molecular weight and characteristic fragment ions. Finally, a total of 43 peptides from Aster tataricus were identified, including 31 cyclic peptides and 12 linear peptides, of which 16 may be potential new cyclic peptides and 8 may be potential new linear peptides. In general, the peptides in the Aster tataricus can be quickly, accurately and comprehensively identified by UHPLC-Q-TOF-MS/MS combined with molecular network, which provides a scientific basis for further research on the separation and purification of peptide components from Aster tataricus and elucidating its pharmacodynamic substances. © 2023 Chinese Society for Mass Spectrometry. All rights reserved.
引用
收藏
页码：397 / 411
页数：14
相关论文
共 25 条
  • [1] LI Yuanyuan, LI Hongjuan, HOU Guige, ZHAO Feng, CONG Wei, XIN Wenyu, HAO Juwei, WANG Chunhua, Purification process for total flavonoids in Asteris Radix et Rhizoma with macroporous absorption resin, Chinese Traditional Patent Medicine, 41, 3, pp. 501-505, (2019)
  • [2] LIN Guimei, LAI Youxue, ZHANG Zixiao, JIA Tianzhu, Optimization of quality standard of honey preparation process of Radix Asteris [J], Lishizhen Medicine and Materia Medica Research, 28, 6, pp. 1350-1352, (2017)
  • [3] WAN Changchen, LIU Yanyan, YANG Hao-tian, ZHANG Qiaoyue, LIAO Man, ZHANG Xia, ZHANG Lantong, Simultaneous determination of nine constituents in Asteris Radix by HPLC-MS/MS, Chinese Traditional and Herbal Drugs, 47, 14, pp. 2534-2539, (2016)
  • [4] WANG Rong, GUO Weina, LIU Qianqian, XIA Chengkai, Analysis of odor characteristics of Aster Radix based on electronic nose and electronic tongue technology [J], Chinese Traditional Patent Medicine, 44, 5, pp. 1693-1697, (2022)
  • [5] MORITA H, NAGASHIMA S, TAKEYA K, ITOKAWA H., Cyclic peptides from higher plants. Part 21. Thionation of the antitumour cyclic pentapeptides, astins A, B and C, from Aster tataricusS, Journal of the Chemical Society, Perkin Transactions 1, 18, pp. 2327-2331, (1995)
  • [6] NG T, LIU F, LU Y, CHENG C, WANG Z., Antioxidant activity of compounds from the medicinal herb Aster tataricus, Comparative Biochemistry and Physiology Part C: Toxicology & Pharmacology, 136, 2, pp. 109-115, (2003)
  • [7] SHEN Y, LUO Q, XU H, GONG F, ZHOU X, SUN Y, WU X, LIU W, ZENG G, TAN N., Mitochondria-dependent apoptosis of activated T lymphocytes induced by astin C, a plant cyclo-peptide, for preventing murine experimental colitis[J], Biochemical Pharmacology, 82, 3, pp. 260-268, (2011)
  • [8] LI S, HONG Z, WANG Z, LI F, MEI J, HUANG L, LOU X, ZHAO S, SONG L, CHEN W., The cyclopeptide astin C specifically inhibits the innate immune CDN sensor STING [J], Cell Reports, 25, 12, pp. 3405-3421, (2018)
  • [9] MORITA H, NAGASHIMA S, TAKEYA K, ITOKAWA H, IITAKA Y., Structures and conformation of antitumour cyclic pentapeptides, astins A, BandC, from Aster tataricus, Tetrahedron, 51, 4, pp. 1121-1132, (1995)
  • [10] MORITA H, NAGASHIMA S, SHIROTA O, TAKEYA K, ITOKAWA H., Two novel mono-chlorinated cyclic pentapeptides, astins D and E from Aster tataricus, Chemistry Letters, 22, 11, pp. 1877-1880, (1993)
123