Figure 6 | Scientific Reports

Figure 6

From: Identification of potential inhibitor against Leishmania donovani mitochondrial DNA primase through in-silico and in vitro drug repurposing approaches

Figure 6

Principal Component Analysis (PCA) & eigenvalue mapped versus the percentage of variance for 300 ns simulation trajectories: (A) LdmtPRI1 only (Variations in PC1, PC2, and PC3 add up to 48.84%, 21.21% and 4.52%), (B) LdmtPRI1-benfotiamine (Variations in PC1, PC2, and PC3 add up to 44.87%, 15.31% and 7.51%), (C) LdmtPRI1- capacitabine (Variations in PC1, PC2, and PC3 add up to 44.87%, 15.31% and 7.51%). Dynamic cross correlation matrix (DCCM) plots for (D) LdmtPRI1-protein only (E) LdmtPRI1-benfotiamine, (F) LdmtPRI1- capecitabine. The positive correlated motions are represented in dark blue, negative anti-correlated motions are represented in white and mixed correlation are represented in cyan.

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