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
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
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Awarded by University of Melbourne
This research was partially funded by the Australian Research Council, Future Fellowship 2014 and Establishment Grant, The University of Melbourne (F. Cavalieri project number FT140100873).