title: Nanostructured TiO(2) catalyzed microwave assisted synthesis of fused quinolines-DNA binding, molecular docking and antioxidant activity.
abstract: The use of nanostructured TiO(2) as mixed phase photocatalyst in the synthesis of 2H-pyrano/2H-thiopyrano [2,3-b]quinoline-2-carboxylic acid (2a/2b) is described. The binding modes of 2a/2b with ds DNA fragments d(CGCGAATTCGCG) were predicted by molecular docking studies. The lowest energy was found in the compound 2b with a binding energy of -7.44 Kcal/mol and inhibition constant of 5.39 x e(-6). The interaction study with CT DNA was carried out by absorption spectra, (K(b) constant obtained for 2a is 3.5x10(6) and for 2b it is 2.9x10(5)), viscosity and thermal denaturation methods. The in vitro antioxidant activities were evaluated. Finally, the results showed that the intercalated 2a/2b compounds are strong antioxidants and they protect oxidative DNA damage from harmful free radicals.
authors.affiliation: Department of Studies and Research in Industrial Chemistry, School of Chemical Sciences, Kuvempu University, Shankaraghatta-577 451, India.
authors.forename: H R Prakash
authors.initials: HR
authors.lastname: Naik
authors.forename: H S Bhojya
authors.initials: HS
authors.lastname: Naik
authors.forename: T R Ravikumar
authors.initials: TR
authors.lastname: Naik
authors.forename: P J
authors.initials: PJ
authors.lastname: Bindu
authors.forename: H Raja
authors.initials: HR
authors.lastname: Naika
authors.forename: T
authors.initials: T
authors.lastname: Aravinda
authors.forename: D S
authors.initials: DS
authors.lastname: Lamani
mesh_terms: D000975:Antioxidants / Q000737:chemistry*; D001713:Biphenyl Compounds / Q000737:chemistry; D004247:DNA / Q000737:chemistry*; D016166:Free Radical Scavengers / Q000737:chemistry; D006861:Hydrogen Peroxide / Q000737:chemistry; D017665:Hydroxyl Radical / Q000737:chemistry; D008872:Microwaves; D008958:Models, Molecular; D015394:Molecular Structure; D049329:Nanostructures / Q000737:chemistry; D009691:Nucleic Acid Denaturation / Q000187:drug effects; D010084:Oxidation-Reduction; D010851:Picrates / Q000737:chemistry; D011804:Quinolines / Q000138:chemical synthesis* / Q000737:chemistry* / Q000494:pharmacology; D013053:Spectrophotometry; D013481:Superoxides / Q000737:chemistry; D014025:Titanium / Q000737:chemistry*; D044366:Transition Temperature / Q000187:drug effects; D014783:Viscosity
chemical_list: D000975:Antioxidants; D001713:Biphenyl Compounds; D016166:Free Radical Scavengers; D010851:Picrates; D011804:Quinolines; D013481:Superoxides; C009495:titanium dioxide; D017665:Hydroxyl Radical; D004247:DNA; D006861:Hydrogen Peroxide; D014025:Titanium; C004931:1,1-diphenyl-2-picrylhydrazyl