How does aggregation of doxorubicin molecules affect its solvation and membrane penetration?
Sadaf Shirazi-Fard, Amin Reza Zolghadr, Axel Klein
Abstract
Aggregation and dynamics of Doxorubicin in solvents like water, DMF, EtOH, DMSO and at DPPC/water and octanol/water interfaces were studied using molecular dynamics (MD) simulations.
Topics & Concepts
ChemistrySolvationPenetration (warfare)Molecular dynamicsMoleculeDoxorubicinMembraneChemical physicsComputational chemistryChemical engineeringOrganic chemistryBiochemistryChemotherapySurgeryMedicineEngineeringOperations researchSpectroscopy and Quantum Chemical StudiesProtein Interaction Studies and Fluorescence AnalysisMicrofluidic and Capillary Electrophoresis Applications