ISIS Neutron and Muon Source Data Journal

Mechanistic Insights into Metallodrug-DNA Interactions Through Inelastic Neutron Scattering in TOSCA

Abstract: Cancer is a growing health problem worldwide, and thus the development of effective chemotherapeutic approaches is crucial for improving human health. Much effort has been put into the design of metal-based drugs, particularly Pt(II) and Pd(II) polyamine chelates acting through unconventional interactions with DNA. This work aims to investigate how differences in the structure and coordination pattern of potential anticancer Pt/Pd-complexes determine their effect on cancer cells. Two types of compounds will be probed ? with and without Cl hydrolysable ligands, the former able to bind covalently to the target, while the latter interacts electrostatically with negatively charged groups of biomolecules via phosphate-clamps (an unconventional drug mode of action). This INS experiment will monitor drug-prompted structural changes in the DNA.

Principal Investigator: Dr Ana Batista de Carvalho
Experimenter: Miss Jessica Domingues Silva
Experimenter: Dr Maria Paula Marques
Local Contact: Dr Svemir Rudic
Experimenter: Miss Raquel Laginha
Experimenter: Professor Luis Alberto Batista de Carvalho

DOI: 10.5286/ISIS.E.RB2520171

ISIS Experiment Number: RB2520171

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Ana Batista de Carvalho et al; (2026): Mechanistic Insights into Metallodrug-DNA Interactions Through Inelastic Neutron Scattering in TOSCA, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2520171

Data is released under the CC-BY-4.0 license.