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Cited by 47Traditional Chinese Medicine AnalysisPhytochemistry and Biological ActivitiesMetabolomics and Mass Spectrometry Studies

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Comparative metabolism study on chlorogenic acid, cryptochlorogenic acid and neochlorogenic acid using UHPLC-Q-TOF MS coupled with network pharmacology

LI, Jie, WANG, Shao-Ping, WANG, Yu-Qi, SHI, Lei, ZHANG, Ze-Kun, DONG, Fan, LI, Hao-Ran, ZHANG, Jia-Yu, MAN, Yu-Qing·2021·Chinese Journal of Natural Medicines
DOI 10.1016/s1875-5364(21)60023-7
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Abstract

Chlorogenic acid (5-CQA), neochlorogenic acid (3-CQA), and cryptochlorogenic acid (4-CQA), usually simultaneously exist in many traditional Chinese medicines (TCMs). However, insufficient attentions have been paid to the comparative metabolism study on these three isomeric constituents with similar effects on anti-inflammation until now. In this study, a novel strategy was established to perform comparative analysis of their metabolic fates in rats and elucidate the pharmacological mechanism of anti-inflammation. Firstly, diagnostic product ions (DPIs) deduced from the representative reference standards were adopted to rapidly screen and characterize the metabolites in rat plasma, urine and faeces using UHPLC-Q-TOF MS. Subsequently, Network pharmacology was utilized to elucidate their anti-inflammatory mechanism. Consequently, a total of 73 metabolites were detected and characterized, including 50, 47 and 43 metabolites for 5-CQA, 4-CQA and 3-CQA, orderly. Moreover, the network pharmacology study indicated that these three isomeric constituents and their major metabolites with similar in vivo metabolic pathways exerted anti-inflammatory effects through co-owned 20 biological processes, which involved 10 major signal pathways and 159 potential targets. Our study shed light on the similarities and differences of the metabolic profiling and anti-inflammatory activity among these three isomeric constituents and set an example for the further researches on the active mechanism of isomeric constituents existing in TCMs based on comparative metabolism study.

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Metadata

Authors
LI, J., WANG, S.-P., WANG, Y.-Q., SHI, L., ZHANG, Z.-K., DONG, F., LI, H.-R., ZHANG, J.-Y., & MAN, Y.-Q.
Affiliations
  • Binzhou Medical University (CN)
  • Shandong University of Traditional Chinese Medicine (CN)
  • Beijing University of Chinese Medicine (CN)
ORCID
Venue
Chinese Journal of Natural Medicines
Publisher
Elsevier BV
Published
2021-03
Volume
19
Issue
3
Pages
212-224
ISSN
  • 1672-3651 (ISSN-L)
  • 1875-5364
DOI
10.1016/s1875-5364(21)60023-7
OpenAlex
W3145991282
Cited by
47
References
2
Citations by year
2026: 5 · 2025: 12 · 2024: 12 · 2023: 10 · 2022: 7 · 2021: 1
FWCI
8.46
Type
journal article
Language
en
Open access
closed
Licence
Locations
  • Chinese Journal of Natural Medicines (publishedVersion)
  • PubMed (publishedVersion)
Topics
  • Health Sciences › Medicine › Complementary and alternative medicine › Traditional Chinese Medicine Analysis
  • Life Sciences › Agricultural and Biological Sciences › Plant Science › Phytochemistry and Biological Activities
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Metabolomics and Mass Spectrometry Studies
Keywords
chlorogenic acid, cryptochlorogenic acid, neochlorogenic acid, in vivo metabolism, anti-inflammatory mechanism, traditional Chinese medicine compounds, metabolite profiling, network pharmacology
MeSH terms
Animals, Chlorogenic Acid, Chromatography, High Pressure Liquid, Drugs, Chinese Herbal, Medicine, Chinese Traditional, Quinic Acid, Rats

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