欧洲实验生物学杂志 开放获取

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Theoretical study on the conjugation of PLGA and PLGA-PEG Carriers to Doxorubicin and Daunorubicin

F. Rahimi*, A.Bahlake, Z. Chamani, S. Bagheri

Daunomycin (or daunorubicin) and adriamycin (or doxorubicin or 14-hydroxydaunomycin) are well-known anticancer agents used in cancer chemotherapy. They are anthracycline antibiotics and are commonly used in the treatment of a wide range of cancers. Doxorubicin and Daunorubicin were chemically conjugated to a terminal end group of poly (D,L-Lactic-co-glycolic acid)[PLGA] and Doxorubicin–PLGA-PEG((doxorubicin-conjugated poly (DL-lactic-co-glycolic acid) (PLGA) and polyethyleneglycol (PEG)). In this research, the molecular structure, Binding Energy(BE), Dipole Moment (DM), Gibbs free energy of solvation (
G (solvation)) and some physicochemical properties of the Doxorubicin- PLGA carriers, Daunorubicin-PLGA carriers, Doxorubicin- PLGA-PEG carriers and Daunorubicin-PLGA-PEG carriers were investigated using Density Functional Theory (DFT) and Hartree Fock (HF) calculations. Our results show an increase in solubility of polyethyleneglycol-polylactic conjugation acid rather than that of polylactic acid. The binding of PEG to PLGA causes a higher solubility of Doxorubicin-PLGAPEG and Daunorubicin-PLGA-PEG in comparison with that of Doxorubicin-PLGA and Daunorubicin-PLGA.