The Study of Doxorubicin and its Complex with DNA by SERS and UV-resonance Raman Spectroscopy

Abstract

The interaction of the antitumour agent doxorubicin with calf thymus DNA is investigated in an aqueous solution at a pH level of 6-7 with molar ratios of 1/10. A UV-resonance Raman spectroscopy and surface enhanced Raman spectroscopy are used to determine the doxorubicin binding sites and the structural variations of doxorubicin-DNA complexes in an aqueous solution. Doxorubicin intercalates with adenine and guanine via a hydrogen bond formation between the N7 positions of purine bases and the hydroxyl group of doxorubicin.

Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach

“…Because of its importance as a chemotherapy medication, there are plenty of works dealing with the spectroscopic evidence of the insertion of a DOX molecule between pairs of nitrogen-containing nucleobases and for the spectral signatures of DOX in aqueous solution. Thus theoretical ,,, and experimentally − obtained absorption spectra can be found in the literature for both environments. The main absorption band around 480 nm has been attributed to a π → π* transition, , and some bathochromic and hypochromic effects are reported to occur upon intercalation. , Notwithstanding, it is difficult to observe those shifts because there is a vibronic component dominating the shape of the band .…”

UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA

“…Spectroscopy, and RR in particular, has been crucial for studying DOX in various environments, including DNA. Table S2 in the SI reports important contributions with a variety of techniques. − Indeed, many authors have pointed out spectroscopic consequences upon intercalation in the cases of absorption, fluorescence, Raman, and remarkably RR spectra. , …”

Spectroscopic studies of anthracyclines: Structural characterization and in vitro tracking

“…Vibrational spectroscopy seems to be the most appropriate technique to better understand the molecular chemical structures and the interactions of these compounds with DNA [29,36].…”