Skip to main content

Metabolomics Applications in Herbal Medicine

  • Chapter
  • First Online:
Toxicology of Herbal Products

Abstract

Metabolomics analytics focuses on the concomitant measuring of a vast array of small molecule metabolites in a biological sample. These approaches are heavily technique-driven, and have recently been increasingly utilized within the context of herbal medicine. Metabolomics analytics has been used to identify composition or origin of an herbal supplement, or to investigate clinical safety and efficacy responses in animals and humans following treatment with herbal products. Two main approaches − mass spectrometry preceded by either liquid or gas chromatographic separation, and nuclear magnetic resonance − are the most widely used techniques, and the development of instrumentation will be the driving force in terms of analytical accuracy when developing “end-points” or “biomarkers” for the clinical use of herbals or any other therapy.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 149.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 199.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 219.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Abbreviations

ADME:

Absorption, distribution, metabolism, excretion

GC/TOF MS:

Gas chromatography-time of flight mass spectrometry

HPLC:

High performance liquid chromatography

MS:

Mass spectrometry

NMR:

Nuclear magnetic resonance

PLS-DA:

Partial least squares discriminant analysis

UPLC/Q-TOF MS:

Ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry

TCM:

Traditional Chinese medicines

References

  • AiHua Z, Hui S, Wang ZG, WenJun S et al (2010) Metabolomics: towards understanding traditional Chinese medicine. Planta Med 76:2026–2035

    Article  Google Scholar 

  • Allwood JW, Goodacre R (2010) An introduction to liquid chromatography-mass spectrometry instrumentation applied in plant metabolomic analyses. (Special Issue: metabolomics in plant and herbal medicine research). Phytochem Anal 21:33–47, many ref

    Article  CAS  PubMed  Google Scholar 

  • Baker M (2011) Metabolomics: from small molecules to big ideas. Nat Meth 8:117–121

    Article  CAS  Google Scholar 

  • Blow N (2008) Metabolomics: biochemistry’s new look. Nature 455:697–700

    Article  CAS  PubMed  Google Scholar 

  • Bondia-Pons I, Savolainen O, Törrönen R, Martinez JA et al (2014) Metabolic profiling of Goji berry extracts for discrimination of geographical origin by non-targeted liquid chromatography coupled to quadrupole time-of-flight mass spectrometry. Food Res Int 63:132–138, Part B

    Article  CAS  Google Scholar 

  • Cao H, Zhang A, Zhang H, Sun H, Wang X (2015) The application of metabolomics in traditional Chinese medicine opens up a dialogue between Chinese and Western medicine. Phytother Res 29:159–166

    Article  PubMed  Google Scholar 

  • Ding X, Hu J, Wen C, Ding Z et al (2014) Rapid resolution liquid chromatography coupled with quadrupole time-of-flight mass spectrometry-based metabolomics approach to study the effects of jieduquyuziyin prescription on systemic lupus erythematosus. PLoS One 9:e88223

    Article  PubMed  PubMed Central  Google Scholar 

  • EFSA CONTAM Panel (2011) Scientific opinion on pyrrolizidine alkaloids in food and feed. EFSA J 9:2406–2540

    Article  Google Scholar 

  • EMA/HMPC/893108/2011 Committee on Herbal Medicinal Products. Public statement on the use of herbal medicinal products containing toxic, unsaturated pyrrolizidine alkaloids (PAs). 2014, http://www.ema.europa.eu/docs/en_GB/document_library/Public_statement/2014/12/WC500179559.pdf

  • Farag MA, Porzel A, Wessjohann LA (2012) Comparative metabolite profiling and fingerprinting of medicinal licorice roots using a multiplex approach of GC-MS, LC-MS and 1D NMR techniques. Phytochemistry 76:60–72, 45 ref

    Article  CAS  PubMed  Google Scholar 

  • Fashe MM, Juvonen RO, Petsalo A, Rahnasto-Rilla M et al (2014) Identification of a new reactive metabolite of pyrrolizidine alkaloid retrorsine: (3H-pyrrolizin-7-yl) methanol. Chem Res Toxicol 27:1950–1957

    Article  CAS  PubMed  Google Scholar 

  • Fashe MM, Juvonen RO, Petsalo A, Vepsalainen J et al (2015a) In silico prediction of the site of oxidation by cytochrome P450 3A4 that leads to the formation of the toxic metabolites of pyrrolizidine alkaloids. Chem Res Toxicol 28:702–710

    Article  CAS  PubMed  Google Scholar 

  • Fashe MM, Juvonen RO, Petsalo A, Rasanen J, Pasanen M (2015b) Species-specific differences in the in vitro metabolism of Lasiocarpine. Chem Res Toxicol 28(10):2034–2044

    Article  CAS  PubMed  Google Scholar 

  • Feng X, Yang Z, Chu Y, Du B et al (2015) 1H nuclear magnetic resonance-based metabolomic study on efficacy of Qingrehuatan decoction against abundant phlegm-heat syndrome in young adults with essential hypertension. J Tradit Chin Med 35:28–35

    Article  PubMed  Google Scholar 

  • Gao W, Yang H, Qi LW, Liu EH et al (2012) Unbiased metabolite profiling by liquid chromatography-quadrupole time-of-flight mass spectrometry and multivariate data analysis for herbal authentication: classification of seven Lonicera species flower buds. J Chromatogr A 1245:109–116

    Article  CAS  PubMed  Google Scholar 

  • Hohmann N, Maus A, Carls A, Haefeli WE, Mikus G (2015) St. John’s wort treatment in women bears risks beyond pharmacokinetic drug interactions. Arch Toxicol 90(4):1013–1015

    Article  PubMed  Google Scholar 

  • Hou CC, Chen CH, Yang NS, Chen YP et al (2010) Comparative metabolomics approach coupled with cell- and gene-based assays for species classification and anti-inflammatory bioactivity validation of Echinacea plants. J Nutr Biochem 21:1045–1059, 54 ref

    Article  CAS  PubMed  Google Scholar 

  • Kim EJ, Kwon J, Park SH, Park C et al (2011) Metabolite profiling of Angelica gigas from different geographical origins using 1H NMR and UPLC-MS analyses. J Agric Food Chem 59:8806–8815

    Article  CAS  PubMed  Google Scholar 

  • Lan K, Xie G, Jia W (2013) Towards polypharmacokinetics: pharmacokinetics of multicomponent drugs and herbal medicines using a metabolomics approach. Evid Based Complement Alternat Med 2013:819147

    PubMed  PubMed Central  Google Scholar 

  • Lee J, Jung Y, Shin JH, Kim HK et al (2014) Secondary metabolite profiling of Curcuma species grown at different locations using GC/TOF and UPLC/Q-TOF MS. Molecules 19:9535–9551

    Article  PubMed  Google Scholar 

  • Li Y, Li JJ, Wen XD, Pan R et al (2014) Metabonomic analysis of the therapeutic effect of Potentilla discolor in the treatment of type 2 diabetes mellitus. Mol Biosyst 10:2898–2906

    Article  CAS  PubMed  Google Scholar 

  • Li J, Zhu SF, Zhao XL, Liu YX et al (2015) Metabolomic profiles illuminate the efficacy of Chinese herbal Da-Cheng-Qi decoction on acute pancreatitis in rats. Pancreatology 15:337–343

    Article  PubMed  Google Scholar 

  • Liu P, Wang P (2014) Application of metabolomics technology in the research of Chinese medicine. Chin J Integr Med 20:307–310

    Article  CAS  PubMed  Google Scholar 

  • Liu X, Zhu W, Guan S, Feng R et al (2013) Metabolomic analysis of anti-hypoxia and anti-anxiety effects of Fu Fang Jin Jing oral liquid. PLoS One 8:e78281

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Ludwig C, Viant MR (2010) Two-dimensional J-resolved NMR spectroscopy: review of a key methodology in the metabolomics toolbox. (Special Issue: Metabolomics in plant and herbal medicine research.). Phytochem Anal 21:22–32, many ref

    Article  CAS  PubMed  Google Scholar 

  • Ma JY, Zhou X, Fu J, Hu T et al (2014) Metabolite profiling analysis of FR429, an ellagitannin purified from Polygonum capitatum, in rat and human liver microsomes, cytosol and rat primary hepatocytes in vitro. Chem Biol Interact 220:33–40

    Article  CAS  PubMed  Google Scholar 

  • Modarai M, Yang M, Suter A, Kortenkamp A, Heinrich M (2010) Metabolomic profiling of liquid Echinacea medicinal products with in vitro inhibitory effects on cytochrome P450 3A4 (CYP3A4). Planta Med 76:378–385

    Article  CAS  PubMed  Google Scholar 

  • Nicholson JK, Holmes E, Lindon JC, Wilson ID (2004) The challenges of modeling mammalian biocomplexity. Nat Biotechnol 22:1268–1274

    Article  CAS  PubMed  Google Scholar 

  • Niu Y, Li F, Inada C, Tanaka K et al (2015) Chemical profiling with HPLC-FTMS of exogenous and endogenous chemicals susceptible to the administration of chotosan in an animal model of type 2 diabetes-induced dementia. J Pharm Biomed Anal 104:21–30

    Article  CAS  PubMed  Google Scholar 

  • Park HW, In G, Kim JH, Cho BG et al (2014) Metabolomic approach for discrimination of processed ginseng genus (Panax ginseng and Panax quinquefolius) using UPLC-QTOF MS. J Ginseng Res 38:59–65

    Article  CAS  PubMed  Google Scholar 

  • Patti GJ, Yanes O, Siuzdak G (2012) Innovation: Metabolomics: the apogee of the omics trilogy. Nat Rev Mol Cell Biol 13:263–269

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Pellati F, Orlandini G, Benvenuti S (2012) Simultaneous metabolite fingerprinting of hydrophilic and lipophilic compounds in Echinacea pallida by high-performance liquid chromatography with diode array and electrospray ionization-mass spectrometry detection. J Chromatogr A 1242:43–58

    Article  CAS  PubMed  Google Scholar 

  • Quan Y, Wang ZY, Xiong M, Xiao ZT, Zhang HY (2014) Dissecting traditional Chinese medicines by omics and bioinformatics. Nat Prod Commun 9:1391–1396

    CAS  PubMed  Google Scholar 

  • Rahimi R, Abdollahi M (2012) An update on the ability of St. John’s wort to affect the metabolism of other drugs. Expert Opin Drug Metab Toxicol 8:691–708

    Article  PubMed  Google Scholar 

  • Schripsema J (2010) Application of NMR in plant metabolomics: techniques, problems and prospects. (Special Issue: Metabolomics in plant and herbal medicine research). Phytochem Anal 21:14–21, many ref

    Article  CAS  PubMed  Google Scholar 

  • Sheridan H, Krenn L, Jiang RW, Sutherland I et al (2012) The potential of metabolic fingerprinting as a tool for the modernisation of TCM preparations. (Special Issue: good practice in traditional Chinese medicine research in the post-genomic era). J Ethnopharmacol 140:482–491, many ref

    Article  CAS  PubMed  Google Scholar 

  • Su S, Duan J, Wang P, Liu P et al (2013) Metabolomic study of biochemical changes in the plasma and urine of primary dysmenorrhea patients using UPLC-MS coupled with a pattern recognition approach. J Proteome Res 12:852–865

    Article  CAS  PubMed  Google Scholar 

  • Teschke R, Eickhoff A (2015) Herbal hepatotoxicity in traditional and modern medicine: actual key issues and new encouraging steps. Front Pharmacol 6:72

    Article  PubMed  PubMed Central  Google Scholar 

  • Tian JS, Peng GJ, Gao XX, Zhou YZ et al (2014) Dynamic analysis of the endogenous metabolites in depressed patients treated with TCM formula Xiaoyaosan using urinary (1) H NMR-based metabolomics. J Ethnopharmacol 158(Pt A):1–10

    Article  PubMed  Google Scholar 

  • Tong X, Sun H, Yan GL, Dong W et al (2011) Evaluation study on urine metabolomics in yinhuang rat model induced by triplet factors of rhubarb, ethanol, and alpha-nephthylisothiolyanate. Chin J Integr Med 17:369–375

    Article  CAS  PubMed  Google Scholar 

  • Tsai DM, Kang JJ, Lee SS, Wang SY et al (2013) Metabolomic analysis of complex Chinese remedies: examples of induced nephrotoxicity in the mouse from a series of remedies containing aristolochic acid. Evid Based Comp Alternat Med 2013:263757

    Google Scholar 

  • van Wietmarschen HA, van der Greef J, Schroen Y, Wang M (2013) Evaluation of symptom, clinical chemistry and metabolomics profiles during Rehmannia six formula (R6) treatment: an integrated and personalized data analysis approach. J Ethnopharmacol 150:851–859

    Article  PubMed  Google Scholar 

  • Wang L, Chen C (2013) Emerging applications of metabolomics in studying chemopreventive phytochemicals. AAPS J 15:941–950

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Wei H, Hu C, Wang M, van den Hoek AM et al (2012) Lipidomics reveals multiple pathway effects of a multi-components preparation on lipid biochemistry in ApoE*3Leiden. CETP mice. PLoS One 7:e30332

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Xie G, Wang CZ, Yu C, Qiu Y et al (2015) Metabonomic profiling reveals cancer chemopreventive effects of American ginseng on colon carcinogenesis in Apc(Min/+) mice. J Proteome Res 14:3336–3347

    Article  CAS  PubMed  Google Scholar 

  • Xin GZ, Qi LW, Shi ZQ, Li P et al (2011) Strategies for integral metabolism profile of multiple compounds in herbal medicines: pharmacokinetics, metabolites characterization and metabolic interactions. Curr Drug Metab 12:809–817

    Article  CAS  PubMed  Google Scholar 

  • Yang M, Cheng C, Yang J, Guo DA (2012) Metabolite profiling and characterization for medicinal herbal remedies. Curr Drug Metab 13:535–557

    Article  CAS  PubMed  Google Scholar 

  • Yang SO, Lee SW, Kim YO, Sohn SH et al (2013) HPLC-based metabolic profiling and quality control of leaves of different Panax species. J Ginseng Res 37:248–253

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  • Yuliana ND, Jahangir M, Verpoorte R, Choi YH (2013) Metabolomics for the rapid dereplication of bioactive compounds from natural sources. Phytochem Rev 12:293–304, 54 ref

    Article  CAS  Google Scholar 

  • Zhang AH, Sun H, Wang X (2012) Recent highlights of metabolomics for traditional Chinese medicine. Pharmazie 67:667–675, many ref

    CAS  PubMed  Google Scholar 

  • Zhang Y, Li F, Huang F, Xie G et al (2014) Metabolomics analysis reveals variation in Schisandra chinensis cetabolites from different origins. J Sep Sci 37:731–737

    Article  PubMed  Google Scholar 

  • Zhao H, Xu J, Ghebrezadik H, Hylands PJ (2015a) Metabolomic quality control of commercial Asian ginseng, and cultivated and wild American ginseng using (1) H NMR and multi-step PCA. J Pharm Biomed Anal 114:113–120

    Article  CAS  PubMed  Google Scholar 

  • Zhao T, Zhang H, Zhang X, Zhao T et al (2015b) Metabolomic and lipidomic study of the protective effect of Chaihuang-Yishen formula on rats with diabetic nephropathy. J Ethnopharmacol 166:31–41

    Article  CAS  PubMed  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Kati Hanhineva .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2017 Springer International Publishing Switzerland

About this chapter

Cite this chapter

Hanhineva, K., Pasanen, M. (2017). Metabolomics Applications in Herbal Medicine. In: Pelkonen, O., Duez, P., Vuorela, P., Vuorela, H. (eds) Toxicology of Herbal Products. Springer, Cham. https://doi.org/10.1007/978-3-319-43806-1_8

Download citation

Publish with us

Policies and ethics