Journal of Chemical and Pharmaceutical Research (ISSN : 0975-7384)

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Original Articles: 2011 Vol: 3 Issue: 4

The estimation of the solubility of the DOX-PLGA-PEG, DOXPLGA and Doxorubicin based on theoretical study

Abstract

Doxorubicin is a drug used in cancer chemotherapy. It is an anthracycline antibiotic and it is commonly used in the treatment of a wide range of cancers.The physicochemical properties of Doxorubicin–PLGA-PEG(doxorubicin-conjugated poly (DL-lactic-co-glycolic acid) (PLGA) and polyethyleneglycol (PEG)) and Doxorubicin–PLGA (poly(DL-lactic-co-glycolic acid)) have been estimated using Density functional Theory (DFT) and Hartree Fock(HF) calculations.In this report some geometrical parameters of DOX-PLGA-PEG complex of the conjugated complex and Doxorubicin–PLGA complex of the conjugated complex were investigated using computational methods and physicochemical properties such as Gibbs free energy of solvation (Gsolvation),binding energy, partition coefficient, and Dipole Moment (DM) of complexes were investigated .Our results indicate that water-solubility of DOX-PLGA-PEG and DOX-PLGA is higher than that of Doxorubicin.