title: Binding properties of palmatine to DNA: spectroscopic and molecular modeling investigations.
abstract: Palmatine, an isoquinoline alkaloid, is an important medicinal herbal extract with diverse pharmacological and biological properties. In this work, spectroscopic and molecular modeling approaches were employed to reveal the interaction between palmatine and DNA isolated from herring sperm. The absorption spectra and iodide quenching results indicated that groove binding was the main binding mode of palmatine to DNA. Fluorescence studies indicated that the binding constant (K) of palmatine and DNA was ~ 10(4)L·mol(-1). The associated thermodynamic parameters, ΔG, ΔH, and ΔS, indicated that hydrogen bonds and van der Waals forces played major roles in the interaction. The effects of chemical denaturant, thermal denaturation and pH on the interaction were investigated and provided further support for the groove binding mode. In addition to experimental approaches, molecular modeling was conducted to verify binding pattern of palmatine-DNA.
authors.affiliation: Hubei Collaborative Innovation Center for Rare Metal Chemistry, Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemistry, Hubei Normal University, Huangshi, 435002, People's Republic of China.
authors.forename: Ran
authors.initials: R
authors.lastname: Mi
authors.affiliation: Hubei Collaborative Innovation Center for Rare Metal Chemistry, Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemistry, Hubei Normal University, Huangshi, 435002, People's Republic of China.
authors.forename: Bao
authors.initials: B
authors.lastname: Tu
authors.affiliation: Hubei Collaborative Innovation Center for Rare Metal Chemistry, Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemistry, Hubei Normal University, Huangshi, 435002, People's Republic of China.
authors.forename: Xiao-Ting
authors.initials: XT
authors.lastname: Bai
authors.affiliation: Hubei Collaborative Innovation Center for Rare Metal Chemistry, Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemistry, Hubei Normal University, Huangshi, 435002, People's Republic of China.
authors.forename: Jun
authors.initials: J
authors.lastname: Chen
authors.affiliation: Hubei Collaborative Innovation Center for Rare Metal Chemistry, Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemistry, Hubei Normal University, Huangshi, 435002, People's Republic of China.
authors.forename: Yu
authors.initials: Y
authors.lastname: Ouyang
authors.affiliation: Hubei Collaborative Innovation Center for Rare Metal Chemistry, Hubei Key Laboratory of Pollutant Analysis & Reuse Technology, Department of Chemistry, Hubei Normal University, Huangshi, 435002, People's Republic of China.
authors.forename: Yan-Jun
authors.initials: YJ
authors.lastname: Hu
mesh_terms: D000818:Animals; D001600:Berberine Alkaloids / Q000737:chemistry*; D001665:Binding Sites; D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry*; D005399:Fishes; D006860:Hydrogen Bonding; D007700:Kinetics; D008297:Male; D008958:Models, Molecular; D013050:Spectrometry, Fluorescence; D013094:Spermatozoa / Q000737:chemistry; D013816:Thermodynamics
chemical_list: D001600:Berberine Alkaloids; D004247:DNA; C005413:palmatine
keywords: DNA; groove binding; molecular modeling; palmatine; spectroscopic approach