MoCadb-logoMoCadb - Study ID Exp25126899a

PubMed ID25126899
AuthorsZhu J(1), Djukovic D, Deng L, Gu H, Himmati F, Chiorean EG, Raftery D.
TitleColorectal cancer detection using targeted serum metabolic profiling.
JournalJ Proteome Res. 2014 Sep 5;13(9):4120-30.
AbstractColorectal cancer (CRC) is one of the most prevalent and deadly cancers in the world. Despite an expanding knowledge of its molecular pathogenesis during the past two decades, robust biomarkers to enable screening, surveillance, and therapy monitoring of CRC are still lacking. In this study, we present a targeted liquid chromatography-tandem mass spectrometry-based metabolic profiling approach for identifying biomarker candidates that could enable highly sensitive and specific CRC detection using human serum samples. In this targeted approach, 158 metabolites from 25 metabolic pathways of potential significance were monitored in 234 serum samples from three groups of patients (66 CRC patients, 76 polyp patients, and 92 healthy controls). Partial least-squares-discriminant analysis (PLS-DA) models were established, which proved to be powerful for distinguishing CRC patients from both healthy controls and polyp patients. Receiver operating characteristic curves generated based on these PLS-DA models showed high sensitivities (0.96 and 0.89, respectively, for differentiating CRC patients from healthy controls or polyp patients), good specificities (0.80 and 0.88), and excellent areas under the curve (0.93 and 0.95). Monte Carlo cross validation was also applied, demonstrating the robust diagnostic power of this metabolic profiling approach.

Sample characteristics

SpeciesTissue / SourceCompartmentDiseaseNDetection methodSample
Homo sapiensbloodserumColorectal cancer (CRC)158LC−MS/MSDem25126899a, Dem25126899b

Sample description and preparation

N (case)66
N (control)92
Disease (case)Colorectal cancer (CRC)
Disease (control)healthy

Sample analysis

Software thresholdP<0.05

Molecule list

Molecule IDextExternal IDNameSource accRegulation (case/control)Scores
CHEBI5445 5445glyceraldehydeglyceraldehyderatio: 1.34
CHEBI15676 15676allantoinallantoinratio: 1.24
CHEBI15919 15919N6-(1,2-Dicarboxyethyl)-AMPadenylosuccinateratio: 1.21
CHEBI15971 15971L-histidinehistidineratio: 0.81
CHEBI15999 15999(4-hydroxyphenyl)pyruvic acidOH-phenylpyruvateratio: 1.08
CHEBI16020 160201-methyladenosine1-methyladenosineratio: 1.04
CHEBI16169 16169homogentisatehomogentisateratio: 0.92
CHEBI16450 164502'-deoxyuridine2?-deoxyuridineratio: 0.91
CHEBI16467 16467L-Argininearginineratio: 1.08
CHEBI16704 16704uridineuridineratio: 0.92
CHEBI16737 16737creatininecreatinineratio: 0.9
CHEBI16811 16811methioninemethionineratio: 0.88
CHEBI16865 168654-Aminobutanoic acidgamma-aminobutyrateratio: 0.93
CHEBI16995 16995Ethanedioic acidoxalic acidratio: 1.12
CHEBI17053 17053L-Aspartic acidaspartic acidratio: 1.37
CHEBI17203 17203L-Prolineprolineratio: 1.1
CHEBI17351 17351linoleic acidlinoleic acidratio: 0.88
CHEBI17549 175495-aminolevulinic acidhydroxyproline/aminolevulinateratio: 1.37
CHEBI17634 17634D-Glucoseglucoseratio: 1.08
CHEBI17687 17687glycocholic acidglycocholateratio: 1.79
CHEBI17724 17724N,N-Dimethylglycinedimethylglycineratio: 0.82
CHEBI17755 17755S-(2-Amino-2-carboxyethyl)homocysteinecystathionineratio: 1.45
CHEBI17775 17775urateurateratio: 0.93
CHEBI18012 18012Fumaric acidfumarateratio: 1.09
CHEBI18019 18019L-Lysinelysineratio: 0.88
CHEBI18021 18021phosphoenolpyruvatephosphoenolpyruvate (PEP)ratio: 0.89
CHEBI18050 18050L-Glutamineglutamineratio: 0.92
CHEBI18089 18089hippuratehippuric acidratio: 2.73
CHEBI18237 18237glutamic acidglutamic acidratio: 1.22
CHEBI18300 18300maleic acidmaleic acidratio: 1.13
CHEBI18344 18344kynurenatekynurenateratio: 1.16
CHEBI20067 200673-hydroxybutyric acidmalonic acid/3-hydroxybutyrate (3HBA)ratio: 0.78
CHEBI21501 21501N-acetyl-D-amino acidN-acetyl glycineratio: 0.75
CHEBI27432 27432Alpha-Linolenic acidlinolenic acidratio: 0.78
CHEBI30915 30915Oxoglutaric acid2-oxoglutarateratio: 0.93
CHEBI32816 32816Pyruvic acidpyruvateratio: 1.15
CHEBI33946 33946Erythroseerythroseratio: 1.08
CHEBI36274 36274glycochenodeoxycholic acidglycochenodeoxycholateratio: 1.42
CHEBI37024 370242-aminoadipic acid2-aminoadipateratio: 0.86
CHEBI59783 59783Leucinic acidleucic acidratio: 1.46
CHEBI78320 783202-Hydroxypropanoic acidlactateratio: 1.09
CHEBI89843 89843Methylsuccinic acidmethylsuccinateratio: 0.95

Compile date 10-20-2017© .