NDLI: A close-up on doxorubicin binding to γ-cyclodextrin: an elucidating spectroscopic, photophysical and conformational study

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RSC Advances Vol - 2 Issue - 5

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A close-up on doxorubicin binding to γ-cyclodextrin: an elucidating spectroscopic, photophysical and conformational study

Content Provider	Royal Society of Chemistry (RSC)
Author	Manoli, Francesco Ottani, Stefano Manet, Ilse Monti, Sandra Anand, Resmi
Copyright Year	2012
Abstract	The association of doxorubicin (DOX) with γ-cyclodextrin (γ-CyD) was studied in phosphate buffer of pH 7.4, at 22 °C by performing titration experiments monitored with circular dichroism (CD), UV-vis absorption, and fluorescence. Global analysis of multiwavelength spectroscopic data obtained at different DOX concentrations was performed by taking into account the DOX monomer–dimer equilibrium. Formation of γ-CyD:DOX 1 : 1, 2 : 1, 1 : 2 and 2 : 2 complexes was evidenced. The stability constants and the absolute CD, UV-vis absorption and fluorescence spectra of all the complexes were determined. γ-CyD did not prove to be able to disrupt the DOX dimer when the latter is the predominant form in solution. The triplet state absorption and kinetic properties of DOX in the presence of γ-CyD and in ethanol were also determined by laser flash photolysis. The excited singlet and the triplet features indicated the environment experienced by DOX in the CyD complexes is ethanol-like. The structure of the γ-CyD:DOX 1 : 1 complex was investigated by Molecular Mechanics (MM) and Molecular Dynamics (MD) for both the neutral and the positively charged (–NH3+ in the daunosamine moiety) DOX forms. The possibility of interaction of both the aglycone and the daunosamine parts with the γ-CyD cavity was evidenced.
Starting Page	2346
Ending Page	2357
Page Count	12
File Format	HTM / HTML PDF
ISSN	20462069
Volume Number	2
Issue Number	6
Journal	RSC Advances
DOI	10.1039/c2ra01221a
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Molecular Dynamics Ethanol Global analysis Aglycone Fluorescence Molecular dynamics Protein dimer Daunosamine Doxorubicin Circular dichroism Ammonia Phosphate Laser Titration Flash photolysis
Content Type	Text
Resource Type	Article
Subject	Chemistry Chemical Engineering

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