Fig. 5

Score and loading plots related to 1 H-NMR analysis. Polar (A-B) and lipidic (C-D) fractions obtained by the partial least squares-discriminant analysis (PLS-DA) algorithm were used to compare the spectra obtained for the 22Rv1 VPA/SIM-treated and CTR groups to explain the maximum separation between the defined class samples in the data. The loading plot is obtained by setting H = K − 1, where H is the number of dimensions and k is the number of variables to select on each dimension. In the loading plots, we highlighted the top ten proton signals of metabolites/lipids that were significantly different between the two analyzed groups. The colored boxes on the right indicate the relative proton signal intensity of the identified metabolites in each group under study. The gradient color scheme ranges from blue color for lower abundance to red color for high abundance. The figure was created using https://www.BioRender.com