title: Modeling techniques and fluorescence imaging investigation of the interactions of an anthraquinone derivative with HSA and ctDNA.
abstract: A new anthraquinone derivative (AORha) was synthesized. Its interactions with human serum albumin (HSA) and calf thymus DNA (ctDNA) were investigated by fluorescence spectroscopy, UV-visible absorption spectroscopy and molecular modeling. Cell viability assay and cell imaging experiment were performed using cervical cancer cells (HepG2 cells). The fluorescence results revealed that the quenching mechanism was static quenching. At different temperatures (290, 300, 310 K), the binding constants (K) and the number of binding sites (n) were determined, respectively. The positive ΔH and ΔS values showed that the binding of AORha with HSA was hydrophobic force, which was identical with the molecular docking result. Studying the fluorescence spectra, UV spectra and molecular modeling also verified that the binding mode of AORha and ctDNA might be intercalative. When HepG2 cells were treated with AORha, the fluorescence became brighter and turned green, which could be used for bioimaging.
authors.affiliation: College of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang 453007, China; Department of Electrical Engineering, Henan Mechanical and Electrical Engineering College, Xinxiang 453000, China.
authors.forename: Zheng
authors.initials: Z
authors.lastname: Fu
authors.affiliation: College of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang 453007, China.
authors.forename: Yanrui
authors.initials: Y
authors.lastname: Cui
authors.affiliation: College of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang 453007, China. Electronic address: fenglingcui@hotmail.com.
authors.forename: Fengling
authors.initials: F
authors.lastname: Cui
authors.affiliation: College of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, Xinxiang 453007, China.
authors.forename: Guisheng
authors.initials: G
authors.lastname: Zhang
mesh_terms: D000818:Animals; D000880:Anthraquinones / Q000737:chemistry*; D001665:Binding Sites; D002417:Cattle; D016923:Cell Death; D002470:Cell Survival; D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry* / Q000378:metabolism; D005453:Fluorescence; D056945:Hep G2 Cells; D006801:Humans; D007454:Iodides / Q000737:chemistry; D007700:Kinetics; D008958:Models, Molecular; D009691:Nucleic Acid Denaturation; D009994:Osmolar Concentration; D011485:Protein Binding; D012709:Serum Albumin / Q000737:chemistry* / Q000378:metabolism; D012965:Sodium Chloride / Q000737:chemistry; D013050:Spectrometry, Fluorescence; D013816:Thermodynamics
chemical_list: D000880:Anthraquinones; D007454:Iodides; D012709:Serum Albumin; D012965:Sodium Chloride; D004247:DNA; C427203:calf thymus DNA
keywords: Anthraquinone; Bioimaging; Fluorescence spectroscopy; HSA; Molecular modeling; ctDNA