Groove binding mediated structural modulation and DNA cleavage by quinoline appended chalcone derivative
作者： Himank Kumar , Vinod Devaraji , Rangaraj Prasath , Manojkumar Jadhao , Ritika Joshi
DOI: 10.1016/J.SAA.2015.07.010
关键词:
摘要: Abstract The present study embodies the detail DNA binding interaction of a potential bioactive quinoline appended chalcone derivative (E)-3-(anthracen-10-yl)-1-(6,8-dibromo-2-methylquinolin-3-yl)prop-2-en-1-one (ADMQ) with calf thymus (ctDNA) and its consequences by UV–Vis absorption, steady state fluorescence spectroscopy, anisotropy, circular dichromism, helix melting, agarose gel electrophoresis, molecular docking, Induced Fit Docking (IFD) dynamics (MD) simulation. absorption reveal that molecule undergoes considerable nucleic acid. control KI quenching experiment shows lesser accessibility ADMQ to ionic quencher (I − ) in presence ctDNA as compared bulk aqueous phase. Insignificant change melting temperature well dichromism (CD) spectra points toward non-covalent groove interaction. moderate rotational confinement this (anisotropy = 0.106) trapped acid environment, comparative displacement assay well-known minor binder Hoechst 33258 intercalator Ethidium Bromide establishes interactions probe molecule. Molecular IFD MD simulation prominent morphological changes terms unwinding bending accommodate crescent shape at an angle 110° sequence specific manner. During interaction, rigidifies bends sugar phosphate backbone thereby shortens overall length 3.02 A. Agarose electrophoresis plasmid pBR 322 reveals binded result concentration dependent cleavage into supercoiled nicked form. consolidated spectroscopic research described herein provides quantitative insight heterocyclic relevant target acid, which may be useful for future on based therapeutic agents.
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