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Table 1 Application of plant metabolomics in the quality evaluation of CMM

From: Plant metabolomics: a new strategy and tool for quality evaluation of Chinese medicinal materials

Application Species Data processing technique Analytical techniques Number of metabolites Biomarker Effect Refs.
Herbal source
Species identification Glycyrrhiza Uralensis, Glycyrrhiza inflata or Glycyrrhiza glabra / DART (Direct Analysis in Real Time)-MS 1 Licochalcone A (LA) Pain relief, antitussive, anti-inflammatory, anti-allergic, enhanced immunity [56]
Artemisia afra and Artemisia annua PCA 1D- and 2D-NMR 24 24 semi-polar components Anti-malaria, anti-inflammatory, immunomodulatory [57]
Astragalus membranaceus and Paeonia albiflora KNN, LDA, SVM, PLS-DA 1H NMR and ICP-AES/ICP-MS 8 4-aminobutyrate, acetate, alanine, arginine, asparagine, benzoate, choline, citrate, glucose, etc Regulation of immunity, suppression of inflammatory response, anti-oxidation, anti-tumor, anti-infection [58]
Hippopahe gyantsensis., Hippopahe Neurocarpa and Hippopahe tibetana PCA 1H-NMR 32 Flavonoids, amino acids, organic acids, and fatty acids Regulation of metabolism, anti-tumor [59]
Habitat identification Panax ginseng OPLS-DA UPLC-Q-TOF–MS 23 Ginsenoside Rf, notoginsenoside R3 isomer, ginsenoside Ro and chikusetsusaponin Iva Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function [60]
Panax ginseng PCA and PLS-DA RRLC-QTOF/MS 2 Ginsenosides [61]
Astragalus membranaceus and Paeonia albiflora LDA, KNN, SVM, PLS-DA 1H NMR and ICP-AES/ICP-MS 7 Calycosin, formononetin, linoleic acid, etc Regulation of immunity, suppression of inflammatory response, anti-oxidation, anti-tumor, anti-infection [62]
Taraxacum mongolicum PCA, OPLS-DA, HPLC-Q-TOF–MS 54 Guanosine 50
-monophosphate, phosphoric acid, gallic acid, catechol,
citraconic acid, cis-aconitate,, etc
diuresis, anti-inflammatory, and promote digestion [63]
Herbal planting
Cultivated CMM quality evaluation Ggarwood PCA, OPLS-DA UPLC-ESI-QTOF-MS 1 2-(2-phenylethyl) chromones Antioxidant and bacteriostatic, analgesic and sedative, anti-inflammatory, anti-cancer [64]
Panax quinquefolius PCA NMR 6 Sucrose, glucose, arginine, choline, and 2-oxoglutarate and malate Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function,etc [65]
Panax ginseng PCA, PLS UPLC-ESI-QTOF-MS 40 Ginsenosides [66]
Salvia miltiorrhiza PCA, OPLS-DA UPLC-Q-TOF/MS 17 Alkaloids Anti-tumor, anti-atherosclerosis, anti-neuroinflammation, inhibiting myocardial hypertrophy [67]
Heavy metals and agricultural residues detection Sedum Alfredii PCA, OPLS-DA GC–MS 12 / / [68]
Lonicerae Japonicae Flos PCA.OPLS-DA UPLC/Q-Orbitrap-Full MS scan 29 Chlorogenic acids, iridoids and organic acid-glucosides Anti-virus, anti-lipids, anti-tumor factors, anti-bacterial, anti-allinflammatory [69]
Herbal harvesting
Growth age Identification Panax ginseng PCA UPLC-QTOF/MS 30 / Prevent aging, eliminate fatigue, improve memory, anti—aging, anti—tumor [70]
Panax ginseng / HPLC-MRM/MSA 301 ginsenosides Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function, etc [32]
Polygala tenuifolia Willd PCA UPLC-QTOF-MS 26 Tenufolia, fructose, sucrose, choline, glycine, raffinose, onjisaponin Fg, polygalasaponin XXVIII, etc Enhance Intelligence, sedative-hypnotic, expelling phlegm and arresting coughing, anti—inflammatory, neuro protection, etc [71]
Harvest season identification Panax ginseng OPLS-DA 1H- NMR 24 Ginsenosides, arginine, sterols, fatty acids, and uracil diphosphate glucose–sugars Enhancing learning and memory, strong hear, antishock, anti-myocardial ischemia, enhanced immune function, etc [72]
Piper Sarmentosum PCA FTIR / / Anti-amoebic, antibacterial, anti-neoplastic, neuromuscular blocking, hypoglycemic, antioxidant,etc [73]
Pericarpium Citri Reticulatae (PCR) and Pericarpium Citri Reticulatae Viride (PCRV) PCA HPLC, HELP 16 Naringin, hesperidin, nobiletin, tangeretin Anti-inflammatory, anti-oxidation, regulating metabolism, neuroprotection, anti-tumor [74]
Different parts identification Cistanche deserticola PLS UPLC-PDA-Q/TOF–MS 6 Echinacoside, cistanoside A and 2 ' -acetylacteoside Neuroprotection, immunomodulation, anti-aging, anti-osteoporosis, protecting liver and protecting liver [75]
Ginseng PCA, OPLS-DA UHPLC-QTOF/MS 81 Rutinum, 20(R)-Notoginsenoside R2, Ginsenoside F3, etc Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, enhanced immune function, etc [76]
Gentiana crasicaulis PCA, OPLS-DA UPLC-ESI-HRMSn 36 Hydroxycinnamic acid amides, trans-N-caffeoyl phenethylamine Anti-inflammatory, anti-allergy, acesodyne [77]
Mulberry PCA, SIMCA 1HNMR 24 / Anti-inflammatory, anti-oxidation, anti-tumor, hypoglycemic, anti-hyperlipidemia, liver protection [78]
Clausena lansium (Lour.) Skeels PCA, OPLS-DA UPLC-Q-Orbitrap-MS 364 β-Alanine, 4-Pyridoxic acid, Phosphorylcholine, N-Acetylglutamic acid, N-Methyltyrosine, etc Promote digestion, anti-influenza, relieve pain [79]
Herbal processing
Metabolite change detection Astragali Radix OPLS-DA, PCA UPLC-QTOF-MS 15 Calycosin-7-O-β-Dglucopyranoside, Calycosin, formononetin, (6αR, 11αR)- 10- Hydroxy-3, etc Anti-tumor, protection of cardio-cerebrovascular, improvement of immune function, etc [80]
Radix Polygala / UPLC-QTOF-MS\NMR 29 3,6′-disinapoylsucrose ester, amino acids,organic acid, and carbohydrates, total saponins Enhance Intelligence, sedative-hypnotic, expelling phlegm and arresting coughing, anti—inflammatory, neuro protection, etc [81]
Panax notoginseng / 1H-NMR/ UPLC 29 Ginsenoside Rf, 20(S)‐pseudoginsenoside F11, malonyl gisenoside Rb1, etc Anti-cancer, lipid-lowering, neuroprotection, endothelial cell protection, bone repair, anti-fibrosis [82]
Rheum palmatum PCA, OPLS-DA UPLC/Q-TOF–MS 2 Emodin-8-O-glucoside and gallic acid-3-O-glucoside Improve the digestive system, regulate the blood system, promote metabolism, affect the nervous system, etc [83]
Aconitum carmichaelii Debx PLS-DA, PCA RPLC-Q-TOF/MS 22 Dehydrated Benzoylmesaconine, Dehydrated Benzoylaconine, 10-OH-Benzoylaconine, etc Anti-inflammatory, relieve pain, anti-tumor, cardiovascular protection [84]
Euphorbia pekinensis Root PCA UPLC-MS 7 3,3'-di-O-methylellagic acid-4'-O-β-D-xylopyranoside,3,3'-di-O-methyl ellagic acid, etc Reversal of P-glycopprotein-mediated multidrug resistance, cytotoxicity, lipase inhibitory activity, etc [85]
Processing methods evaluation Panax notoginseng PLS-DA, PCA UHPLC/TOF MS 40 Ginsenoside Ra3/isomer, gypenoside XVII, quinquenoside R1, ginsenoside Ra7, notoginsenoside Fe, etc Anti-cancer, lipid-lowering, neuroprotection, endothelial cell protection, etc [86]
Ginseng ANOVA HPLC 10 Ginsenosides Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, etc [87]
Notopterygium franchetii PCA, HCA UHPLC-QTOF-MS–MS 30 Nodakenin, psoralen, bergapten, notopterol, imperatorin, and isoimperatorin Anti-inflammatory, anti-oxidation, anti-arrhythmic, anti-bacterial, etc [88]
Salvia miltiorrhiza / NMR and LC-DAD-MS 81 sugars, carboxylic acids and amino acids, polyphenolic acids and diterpenoids, etc Anti-tumor, anti-neuroinflammation, inhibiting myocardial hypertrophy [89]
Astragalus root PCA H-1 NMR /UPLC-MS 19 acetate, alanine, arginine, caprate, fumarate, glutamate, valine, and some xylem-related compounds Anti-tumor, protection of cardio-cerebrovascular, improvement of immune function, etc [90]
Herbal marketing
  Hydrastis canadensis(goldenseal) canadensis PCA MS 12 Berberine, hydrastine, canadine, palmatine, coptisine, dihydrocoptisine Antimicrobial, anti-inflammatory, hypolipidemic, hypoglycemic, antioxidant, neuroprotective, etc [91]
Panax ginseng OPLS-DA 1H NMR 15 / Enhancing learning and memory, enhanced immune function, strong heart, antishock, etc [92]
Panax ginseng OPLS-DA, PCA UPLC-QTOF-MS/MS 43 ginsenoside Rg3, a nitrogen-containing component, ginsenoside 20(R)-Rh, etc Enhancing learning and memory, strong heart, antishock, anti-myocardial ischemia, etc [93]
Trichosanthis Radix OPLS-DA, PCA UPLC-ESI-QTOF-MS/MS, UPLC-ESI-QTRAP-MS/MS 25 5 sulfur-containing components, 20 non-sulfur marker metabolites Anti virus, anti—tumor, odinopoeia [94]
Rhodiola PCA NMR, HPTLC / salidroside Lowering blood lipids and blood sugar, improve physical, mental, memory, attention and immunity, anti-aging, etc [95]
Rhodiola OPLS-DA HPLC–UV, NMR 5 Coumarin, Crenulatin, rosavins [96]
Angelica acutiloba PCA GC-TOF–MS 22 Sugars, fructose and glucose, phosphoric acid, proline, malic acid and citric acid Improving anemia, protecting liver, immunomodulation, anti-tumor, anti-inflammatory [97]