title: Spectroscopic, electrochemical and molecular docking studies of dothiepin and doxepin with bovine serum albumin and DNA base.
abstract: The interaction of dothiepin (DOT) and doxepin (DOX) with bovine serum albumin (BSA) and a DNA base (adenine) was studied using UV-visible, fluorescence, attenuated total reflection-infra-red (ATR-IR), cyclic voltammetry and molecular docking methods. Strong fluorescence quenching was observed upon interaction of DOT and DOX with BSA/adenine and the mechanism suggested static quenching. Hydrophobic and hydrogen bonding interactions were the predominant intermolecular forces needed to stabilize the copolymer. Upon addition of the drugs: (i) the tautomeric equilibrium structure of the adenine was changed; and (ii) the oxidation and the reduction peaks of the adenine/BSA interaction shifted towards high and low potentials, respectively. In ATR-IR, the band shift of amides I and II indicated a change in secondary structure of BSA upon binding to DOT and DOX drugs. The reduction in voltammetric current in the presence of BSA/adenine was attributed to slow diffusion of BSA/adenine binding with DOX/DOT. The docking method indicated that the drug moiety interacted with the BSA molecule. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: Department of Chemistry, Annamalai University, Annamalai Nagar, 608 002, Tamilnadu India.
authors.forename: N
authors.initials: N
authors.lastname: Rajendiran
authors.affiliation: Department of Chemistry, Annamalai University, Annamalai Nagar, 608 002, Tamilnadu India.
authors.forename: J
authors.initials: J
authors.lastname: Thulasidhasan
mesh_terms: D000818:Animals; D004247:DNA / Q000737:chemistry / Q000378:metabolism*; D004308:Dothiepin / Q000737:chemistry* / Q000378:metabolism*; D004316:Doxepin / Q000737:chemistry* / Q000378:metabolism*; D004563:Electrochemistry; D062105:Molecular Docking Simulation; D010084:Oxidation-Reduction; D012710:Serum Albumin, Bovine / Q000378:metabolism*; D013050:Spectrometry, Fluorescence
chemical_list: D004316:Doxepin; D012710:Serum Albumin, Bovine; D004247:DNA; D004308:Dothiepin
keywords: BSA; cyclic voltammetry; dothiepin; doxepin; molecular docking; quenching