title: Investigations on the interactions of diclofenac sodium with HSA and ctDNA using molecular modeling and multispectroscopic methods.
abstract: A tentative study on interaction of diclofenac sodium (DF-Na) with human serum albumin (HSA) and calf thymus DNA (ctDNA) was conducted by using multi-spectroscopic and molecular modeling techniques under simulative physiological conditions. The results of spectroscopic measurements suggested that the quenching mechanisms were static quenching. Three-dimensional fluorescence spectroscopy clearly demonstrated the occurrence of conformational changes of HSA with addition of DF-Na. In addition, competitive studies with ethidium bromide (EB) have shown that DF-Na can bind to ctDNA relatively strong via groove binding. Based on the values of thermodynamic parameters and the results of molecular modeling, it was confirmed that hydrophobic forces and hydrogen bond were the mainly binding forces in DF-Na-HSA and DF-Na-DNA systems. The binding distance between DF-Na and HSA was also determined using the theory of the Förster energy transference.
authors.affiliation: School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang 453007, China.
authors.forename: Yanrui
authors.initials: Y
authors.lastname: Cui
authors.forename: Erjun
authors.initials: E
authors.lastname: Hao
authors.forename: Guangquan
authors.initials: G
authors.lastname: Hui
authors.forename: Wei
authors.initials: W
authors.lastname: Guo
authors.forename: Fengling
authors.initials: F
authors.lastname: Cui
mesh_terms: D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000378:metabolism*; D001665:Binding Sites; D002417:Cattle; D004247:DNA / Q000737:chemistry / Q000378:metabolism*; D004008:Diclofenac / Q000378:metabolism*; D006801:Humans; D008958:Models, Molecular; D011485:Protein Binding; D011487:Protein Conformation / Q000187:drug effects; D012709:Serum Albumin / Q000737:chemistry / Q000378:metabolism*; D013050:Spectrometry, Fluorescence
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D012709:Serum Albumin; D004008:Diclofenac; D004247:DNA; C427203:calf thymus DNA