Effects of polymer modification of an anti-cancer drug with poly(ethylene oxide)

The hydrophobic anti-cancer drug paclitaxel was modified with the hydrophilic poly(ethylene oxide) to a water-soluble predrug. The modification of the polymer chain results in a different solution behaviour of the macromolecules compared with the unmodified polymer. The phase diagram of the (quasi)binary system predrug-water was investigated, and molecular simulations of the predrug were executed in vacuum and in the presence of water. The results are important for further engineering on active drug systems.