Mechanistic study of low-energy electron interactions in the fragmentation of cisplatin

Abstract

Theoretical calculations were performed to investigate the consequence of excess electron attachment to cisplatin, a widely used chemotherapeutic drug. The complex absorbing potential (CAP) methodology was utilized to identify resonance states. The analysis of the resonance states, together with the computation and characterization of the target molecular normal modes, provided insights into potential break-up pathways for cisplatin fragmentation, particularly in the Pt-Cl bond. The most probable fragmentation channel was found to involve the release of the [(NH3)2PtCl]• radical species, which can cause DNA damage.