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Anticancer drug impact on DNA - a study by neutron spectroscopy coupled with synchrotron-based FTIR and EXAFS

Ana L M Batista de Carvalho1, Adriana P Mamede1, Asha Dopplapudi2

  • 1Química-Física Molecular, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal. labc@ci.uc.pt.

Physical Chemistry Chemical Physics : PCCP
|January 19, 2019
PubMed

Insights

Platinum and Palladium drugs interacting with DNA reveal enhanced mobility and conformational changes, crucial for developing new cancer therapies for triple-negative breast cancer. This study provides molecular insights into drug-DNA interactions.

Area of Science:

  • Biophysics
  • Materials Science
  • Molecular Biology

Background:

  • Understanding drug-DNA interactions is key for developing effective chemotherapeutics.
  • Platinum and Palladium complexes are investigated for their anti-cancer properties.
  • Triple-negative breast cancer (MDA-MB-231) presents a significant challenge due to its poor prognosis.

Purpose of the Study:

  • To elucidate the molecular-level interplay between Pt/Pd-drugs and DNA.
  • To understand the pharmacodynamic profile of novel dinuclear platinum(ii) and palladium(ii) complexes.
  • To evaluate the effect of these agents on DNA in triple-negative breast cancer cells.

Main Methods:

  • Quasi-elastic neutron scattering (QENS) to probe DNA's dynamical profile and hydration layer.
  • Synchrotron-based extended X-ray absorption fine structure (SR-EXAFS) to determine the local environment of Pt(ii) and Pd(ii) centers.
  • Fourier-Transform Infrared Spectroscopy-Attenuated Total Reflectance (SR-FTIR-ATR) for simultaneous drug and DNA detection and conformational analysis.

Main Results:

  • QENS revealed drug-induced enhanced mobility in DNA's hydration layer and onset of anharmonicity in dehydrated DNA.
  • SR-FTIR-ATR enabled simultaneous detection of drugs and DNA, identifying drug-prompted DNA conformational changes.
  • SR-EXAFS provided structural information on drug-adducts with DNA bases (adenine, guanine) and glutathione.

Conclusions:

  • The study provides complementary structural and dynamical insights into Pt/Pd-drug-DNA interactions at a molecular level.
  • Findings enhance the understanding of the pharmacodynamic profile of these dinuclear complexes.
  • This research is crucial for the development of improved chemotherapeutic agents, particularly for challenging cancers like triple-negative breast cancer.

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