title: Experimental and computational studies on the effects of valganciclovir as an antiviral drug on calf thymus DNA.
abstract: DNA-binding properties of an antiviral drug, valganciclovir (valcyte) was studied by using emission, absorption, circular dichroism, viscosity, differential pulse voltammetry, fluorescence techniques, and computational studies. The drug bound to calf thymus DNA (ct-DNA) in a groove-binding mode. The calculated binding constant of UV-vis, Ka, is comparable to groove-binding drugs. Competitive fluorimetric studies with Hoechst 33258 showed that valcyte could displace the DNA-bound Hoechst 33258. The drug could not displace intercalated methylene blue from DNA double helix. Furthermore, the induced detectable changes in the CD spectrum of ct-DNA as well as changes in its viscosity confirm the groove-binding mode. In addition, an integrated molecular docking was employed to further investigate the binding interactions between valcyte and calf thymus DNA.
authors.affiliation: a Department of Chemistry , Faculty of Science, Razi University , Kermanshah , Iran.|b Medical Biology Research Center (MBRC) , Kermanshah University of Medical Sciences , Kermanshah , Iran.
authors.forename: Nahid
authors.initials: N
authors.lastname: Shahabadi
authors.affiliation: a Department of Chemistry , Faculty of Science, Razi University , Kermanshah , Iran.
authors.forename: Mehdi
authors.initials: M
authors.lastname: Pourfoulad
authors.affiliation: a Department of Chemistry , Faculty of Science, Razi University , Kermanshah , Iran.
authors.forename: Neda Hosseinpour
authors.initials: NH
authors.lastname: Moghadam
mesh_terms: D000998:Antiviral Agents / Q000737:chemistry / Q000378:metabolism; D001665:Binding Sites; D001667:Binding, Competitive; D006690:Bisbenzimidazole / Q000737:chemistry; D002942:Circular Dichroism; D004247:DNA / Q000737:chemistry* / Q000378:metabolism*; D004563:Electrochemistry / Q000379:methods; D015774:Ganciclovir / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D007364:Intercalating Agents / Q000737:chemistry; D008751:Methylene Blue / Q000737:chemistry / Q000378:metabolism; D062105:Molecular Docking Simulation; D009690:Nucleic Acid Conformation; D013050:Spectrometry, Fluorescence; D013816:Thermodynamics; D000077562:Valganciclovir; D014783:Viscosity
chemical_list: D000998:Antiviral Agents; D007364:Intercalating Agents; D004247:DNA; C427203:calf thymus DNA; D000077562:Valganciclovir; D006690:Bisbenzimidazole; D015774:Ganciclovir; D008751:Methylene Blue
keywords: DNA interaction; Valganciclovir; groove binding; molecular docking