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Metabolomics Coupled with Proteomics Advancing Drug Discovery toward More Agile Development of Targeted Combination Therapies

Xijun Wang, Aihua Zhang, Ping Wang, Hui Sun, Gelin Wu, Wenjun Sun, Haitao Lv, Guozheng Jiao, Hongying Xu, Ye Yuan, Lian Liu, Dixin Zou, Zeming Wu, Ying Han, Guangli Yan, Wei Dong, Fangfang Wu, Tianwei Dong, Yang Yu, Shuxiang Zhang, Xiuhong Wu, Xin Tong and Xiangcai Meng
Molecular & Cellular Proteomics May 1, 2013, First published on January 29, 2013, 12 (5) 1226-1238; https://doi.org/10.1074/mcp.M112.021683

Article Figures & Data

Figures

  • Fig. 1.
    Fig. 1.

    Histology, immunohistochemistry, and TUNEL assay. A, representative pictures of liver histopathology (H&E staining), immunohistochemistry, and TUNEL assay of apoptotic hepatocytes after CCL4 with DGR treatment in rats (original magnification: ×200). B, quantitative evaluation of the density of apoptotic hepatocytes using TUNEL staining. C, quantitative immunohistochemistry evaluation of the density of Fas- and BCL-2 positive cells. The values are expressed as mean ± S.D. and were compared via analysis of variance. *p < 0.05 versus the control group; **p < 0.01 versus the control group; #p < 0.05 versus the HI group; ##p < 0.01 versus the HI group.

  • Fig. 2.
    Fig. 2.

    Metabolomic multivariate analysis. A, Base peak intensity chromatograms of urine samples. B, Base peak intensity chromatograms of plasma samples. C, OPLS-DA score plot for the control and HI groups. (▴, control group; ■, model group). D, the PLS-DA loading plots for the control and HI groups. E, a combination plot of S-plot and VIP values. The red point graph is the VIP value plot, which represents the value of each metabolite. The farther from the origin, the higher the VIP value of the metabolites. F, chemical structure and mass fragment information for 2-((hexyloxy) carbonyloxy)benzoic acid.

  • Fig. 3.
    Fig. 3.

    Loading plots of OPLS-DA model of potential biomarkers identified. A, urine. B, plasma.

  • Fig. 4.
    Fig. 4.

    Merged network combining major signaling networks associated with the metabolites differentially expressed in the Ingenuity pathway analysis. A, HI group; B, D group; C, DG group; D, DGR group.

  • Fig. 5.
    Fig. 5.

    DGR causes synergistic effects on trajectory analysis of HI rats. For each cluster, dotted circles indicate the subject closest to the average user profile within the group. A, trajectory analysis of PCA score plots for the HI rats after D treatment. B, trajectory analysis of PCA score plots for the HI rats after G treatment. C, trajectory analysis of PCA score plots for the HI rats after R treatment. ■C, control; ■M (pink), HI group; ■COC (red), DGR group; ■DG (green); ■DR (brown); ■GR (yellow); ■G (blue); ■D (brown); ■R (green).

  • Fig. 6.
    Fig. 6.

    Two-dimensional gel electrophoresis representative proteomic maps. A, the control group. B, the HI group. C, the YCHT-treated group. D, the DGR-treated group. The protein spots that are indicated with numbers represent the differentially expressed proteins.

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Metabolomics Coupled with Proteomics Advancing Drug Discovery toward More Agile Development of Targeted Combination Therapies
Xijun Wang, Aihua Zhang, Ping Wang, Hui Sun, Gelin Wu, Wenjun Sun, Haitao Lv, Guozheng Jiao, Hongying Xu, Ye Yuan, Lian Liu, Dixin Zou, Zeming Wu, Ying Han, Guangli Yan, Wei Dong, Fangfang Wu, Tianwei Dong, Yang Yu, Shuxiang Zhang, Xiuhong Wu, Xin Tong, Xiangcai Meng
Molecular & Cellular Proteomics May 1, 2013, First published on January 29, 2013, 12 (5) 1226-1238; DOI: 10.1074/mcp.M112.021683
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