Untargeted metabolomics profiling by GC-TOF-MS reveals a human PCa-associated metabolic phenotype in Zn-deficient middle-aged Wistar-Unilever rat prostates.

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Untargeted metabolomics profiling by GC-TOF-MS reveals a human PCa-associated metabolic phenotype in Zn-deficient middle-aged Wistar-Unilever rat prostates with marked down-regulation of citrate (n = 9 rats per group). Untargeted metabolomics profiling by GC-TOF-MS reveals a human PCa-associated metabolic phenotype in Zn-deficient middle-aged Wistar-Unilever rat prostates with marked down-regulation of citrate (n = 9 rats per group). (A) ChemRICH set enrichment statistics plot showing that TCA metabolites were down-regulated in Zn-deficient middle-aged vs. Zn-sufficient middle-aged rat prostates, with pentose metabolites and saturated fatty acids up-regulated. The node color scale shows the proportion of increased (red) or decreased (blue) compounds in Zn-deficient vs. Zn-sufficient middle-aged prostate. Purple nodes have both increased and decreased metabolites. (B) Box-and-whisker plots (data log10 transformed) for citric acid and uracil (two metabolites similarly dysregulated in human PCa) in the Zn-deficient and Zn-sufficient middle-aged rat prostates. (C) Metabolomics network of biochemical differences between Zn-deficient and Zn-sufficient middle-aged rat prostates. A biochemical and chemical similarity network was calculated for all measured metabolites with KEGG and PubChem CIDs. Molecules not directly participating in biochemical transformations but sharing many structural properties were connected at a threshold of Tanimoto similarity coefficient ≥0.7. Each node denotes an identified metabolite (blue, down-regulated; red, up-regulated; yellow, insignificant change; P < 0.05; Mann–Whitney U test). Metabolites are connected based on biochemical relationships (red lines) or structural similarity (light-blue lines). Metabolite size reflects median fold-change. Louise Y. Fong et al. PNAS 2018;115:47:E11091-E11100 ©2018 by National Academy of Sciences