Theoretical study on physicochemical properties of 7-Glycolylpaclitaxel 2''-O- α-glucooligosaccharides, novel taxol (paclitaxel) prodrugs of ester-linked oligosaccharide series compounds

Z.Bayata, M. Nejatpour and S.

Abstract

The physicochemical properties of 7-Glycolylpaclitaxel 2''-O-α-glucooligosaccharides, novel taxol (paclitaxel) prodrugs of ester-linked oligosaccharide series compounds, have been evaluated using Hartree Fock (HF) calculations. Our investigation include: geometrical parameters of saccharide-paclicaxel conjugates, Gibbs free energy of solvation (G solvation), binding energy and Dipole Moment (DM) of prodrugs, beside some properties such as partition coefficient, polarizibility, hydration energy and etc. Our results indicate that the saccharidepaclitaxel mentioned above can be used to improve anti cancer activity and water-solubility of paclitaxel.