Journal article

A combined approach for predicting the cytotoxic effect of drug-nanoaggregates

M Wojnilowicz, M Tortora, BG Bobay, E Santiso, M Caruso, L Micheli, M Venanzi, S Menegatti, F Cavalieri

JOURNAL OF MATERIALS CHEMISTRY B | ROYAL SOC CHEMISTRY | Published : 2016

Abstract

We present a combined spectroscopic and computational approach aimed to elucidate the mechanism of formation and activity of etoposide nanoaggregates upon release from dextran-etoposide conjugates. Etoposide is an anticancer drug that inhibits cell growth by blocking Topoisomerase II, the key enzyme involved in re-ligation of the DNA chains during the replication process. In silico and spectroscopic analysis indicate that released etoposide nanoaggregates have a different structure, stability, and bioactivity, which depend on the pH experienced during the release. Molecular dynamics simulation and in silico docking of etoposide dimers suggest that the aggregation phenomena inhibit etoposide ..

View full abstract

University of Melbourne Researchers