Evidence-Based Complementary and Alternative Medicine / 2013 / Article / Tab 1

Review Article

Towards Polypharmacokinetics: Pharmacokinetics of Multicomponent Drugs and Herbal Medicines Using a Metabolomics Approach

Table 1

Summary of PK studies of single chemicals and multicomponent drugs or herbal medicines using metabolomics.

SubstanceType of biological sampleBioanalysis techniqueMultivariate analysis methodReference

GSK-XRat urineLC-TOFMSPCA, Ward’s HCA[29]
CitalopramRat urineLC-MSPCA, PLS, PARAFAC, N-PLS[30]
Ferulic acid and sinapic acidRat urineHPLC-QTOFMSPLS-DA[38]
FenofibrateRat urineUPLC-QTOFMSPLS-DA[47]
IsoliquiritigeninRat urineUPLC-QTOFMSPCA, PLS-DA[56]
TolcaponeRat urineUPLC-QTOFMSPCA[49]
AcetaminophenRat urineUPLC/MS, NMRPCA, PLS-DA[41]
Valproic acidMouse urineLC-MSPCA[53]
ThioTEPAMouse urineUPLC-QTOFMSOPLS[55]
NSC686288 (aminoflavone)Mouse urineUPLC-QTOFMSPCA[31, 34]
EthanolMouse urineUPLC-QTOFMSPLS-DA, OPLS[57]
Arecoline and arecaidineMouse urineUPLC-QTOFMSPCA, PLS-DA[35]
(±)-Arecoline 1-oxideMouse urineUPLC-QTOFMSPCA[37]
PhIP*Mouse urineUPLC-QTOFMSPCA[36]
AcetaminophenMouse urineUPLC-QTOFMSPCA[39]
Cyclophosphamide/ifosfamideMouse urineUPLC-QTOFMSOPLS[50]
Vitamin EMouse urineUPLC-TOFMSPCA, PLS-DA[46]
MelatoninMouse urineIPLC-TOFMS, LC-MS/MSPCA, OPLS[44]
TipranavirMouse urine, feces, tissueUPLC-TOFMSPCA, OPLS-DA[51]
RitonavirMouse urine and fecesUPLC-TOFMSOPLS-DA[54]
ProcainamideMouse and human urineUPLC-QTOFMSPCA, PLS-DA[58]
FenofibrateMonkey urineUPLC-QTOFMSPLS-DA[48]
Pulegone/clozapineMouse liverUPLC-TOFMSPCA, OPLS-DA[42]
DextromethorphanHuman urineLC-MS/MSPCA, OPLS-DA[43]
3,4-Dehydro-debrisoquineHuman urineUPLC-QTOFMSOPLS[31, 59]
Cocoa powderHuman urineHPLC-QTOFMSPLS-DA, two-way HCA[60]
Almond skin extractHuman urineLC-QTOFMSPCA, OPLS-DA[61]
Pu-erh teaHuman urineUPLC-QTOFMS, GC-TOFMSPCA, OPLS-DA[6, 62]
A mix of wine extract and grape juice extractHuman urine 1H NMRANOVA-PCA/PLS[63]
Dried black tea extract and red grape extractHuman urine 1H NMRANOVA-PCA/PLS[64]
Chamomile teaHuman urine 1H NMR PCA, PLS, OSC[14]
Dark chocolateHuman urine, plasma 1H NMR, LC-MS, LC-MS/MSPCA, OPLS-DA[65]
NefazodoneNADPH-supplemented human liver microsomal incubation samplesLC-MSPCA[52]
Rifampicin, phenobarbital, and CITCO**Human hepatocytesUPLC-TOFMSPCA, OPLS, SUS plot[66]

2-Amino-1-methyl-6-phenylimidazo 4,5-b pyridine.
**6-(4-Chlorophenyl)imidazo 2,1-b 1,3 thiazole-5-carbaldehydeO-3,4-dichlorobenzyl) oxime.
LC-MS: liquid chromatography-mass spectrometry; UPLC-QTOFMS: ultraperformance liquid chromatography-quadrupole time of flight mass spectrometry; NMR: nuclear magnetic resonance; GC-TOFMS: gas chromatography-time of flight mass spectrometry; PCA: principle component analysis; PLS: partial least squares; OPLS-DA: orthogonal partial least squares-discriminant analysis; DAPARAFAC: parallel factor analysis; N-PLS: multilinear partial least squares; OSC: orthogonal signal correction.