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Molecular Dynamics Deciphers Drug-Dependent Stability in Therapeutic Liposomes
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DOI：10.1016/j.chemphyslip.2025.105563.png)
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Abstract
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• Molecular dynamics simulations reveal drug-dependent stability of DMPC/DMPG liposomes. • Amphotericin B maintains membrane thickness, lipid order, and bilayer integrity. • 5-Fluorouracil penetrates the bilayer, increasing fluidity and disrupting lipid packing. • Density profiles of water and drug indicate enhanced permeability in 5-FU systems. • Findings provide molecular insight for designing stable, drug-specific liposomal carriers.
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