title: Interaction of one anthraquinone derivative with ctDNA analyzed by spectroscopic and modeling methods.
abstract: The interaction of one anthraquinone derivative (AOMan) with calf thymus deoxyribonucleic acid (ctDNA) was systematically investigated at physiological pH 7.4 by fluorescence spectroscopy and molecular modeling. Binding constants of ctDNA with AOMan were calculated at different temperatures. Thermodynamic parameters, enthalpy and entropy changes were calculated according to Van't Hoff equation, which indicated that the reaction was spontaneous and predominantly enthalpically driven. The increasing viscosity of ctDNA indicated that AOMan could intercalate into the base pairs of ctDNA. This conclusion was also demonstrated by the results obtained from KI quenching, denatured DNA studies and fluorescence polarization experiment. Furthermore, the molecular modeling results showed that anthraquinone ring tended to slide into the G-C rich region of ctDNA through the hydrogen bond, which are consistent with the results from experimental methods. Studying the binding interaction of target anthraquinones with DNA is one of the key steps in their DNA-changing action and the design of new drugs.
authors: School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang, 453007, China.
authors: Yanrui
authors: Y
authors: Cui
authors: Zheng
authors: Z
authors: Fu
authors: Shaoguang
authors: S
authors: Geng
authors: Guisheng
authors: G
authors: Zhang
authors: Fengling
authors: F
authors: Cui
mesh_terms: D000818:Animals; D000880:Anthraquinones / Q000737:chemistry*; D002417:Cattle; D004247:DNA / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D009994:Osmolar Concentration; D013050:Spectrometry, Fluorescence; D014783:Viscosity
chemical_list: D000880:Anthraquinones; D004247:DNA; C427203:calf thymus DNA