Fig. 15 | Scientific Reports

Fig. 15

From: PEGylated liposomal metformin overcomes pharmacokinetic barriers to trigger potent mitochondrial disruption and cell cycle arrest in hepatocellular carcinoma

Fig. 15

Global structural instability of the 5XTD–Metformin complex over 100 ns. (A) RMSD shows large deviations (avg. 3.56 ± 0.82 nm) with a spike to ~ 4.5 nm at 1.16 ns and sustained fluctuations, indicating conformational lability. (B) Radius of gyration increases (mean 4.65 ± 0.53 nm), with unfolding events at 1.16 and 1.6 ns, reflecting loss of compactness. (C) SASA (avg. 513.4 ± 8.2 nm2) shows transient rises, suggesting hydrophobic exposure and tertiary destabilization, particularly in NDUFV1.

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