1H NMR-derived serum metabolomics of leukoplakia and squamous cell carcinoma

Ashish Gupta, Shalini Gupta, Abbas Ali Mahdi

Research output: Contribution to journalArticlepeer-review

18 Scopus citations


Background: Oral cancer (OC) is the sixth commonest cancer worldwide with alarming mortality. If identified at an early stage, the survival rate would be improved. Methods: We appraised the feasibility of using 1H nuclear magnetic resonance (1H NMR) based metabolomics in the identification of signature metabolites in serum from patients suffering with oral leukoplakia (OLK, n=100), oral squamous cell carcinoma (OSCC, n=100), and healthy control (HC, n=75). 1H NMR derived data were processed by principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) to reveal discriminating metabolites among these groups. Receiver operating characteristic (ROC) curve evaluation was also executed. Results: NMR-derived serum metabolomics reveals eight differentially expressed biomarkers. Among them four biomarkers (glutamine, propionate, acetone, and choline) were able to accurately (ROC; 0.97) segregate 93.5% of OC cases equated to HC with substantial sensitivity and specificity. Similarly, four biomarkers (glutamine, acetone, acetate, and choline) were able to precisely (ROC; 0.96) discriminate, 92.4% of OLK cases from OSCC with considerable sensitivity and specificity. 1H NMR-based metabolic fingerprint obtained for oral cancer is remarkable, even for OLK stage. Conclusion: There is a systemic metabolic response to initial stage of cancer, which carries immense possibility for early appraisal.

Original languageEnglish (US)
Pages (from-to)47-55
Number of pages9
JournalClinica Chimica Acta
StatePublished - Feb 4 2015


  • NMR-spectroscopy
  • Oral cancer
  • PCA
  • Serum-metabolomics

ASJC Scopus subject areas

  • Biochemistry
  • Clinical Biochemistry
  • Biochemistry, medical


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