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In vitro Screening of N-Naphthylhydroxamic Acids as DNA Binding Agents

机译:N-萘基异羟肟酸作为DNA结合剂的体外筛选

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The in vitro interaction between N-1-napthylcaprohydroxamic acid and N-1-napthyllaurohydroxamic acid and ct-DNA was investigated in physiological buffer (7.4 pH) by UV-visible, fluorescence spectroscopy as well as viscosity measurement. The result indicated that both the hydroxamic acid bind to ct-DNA. The binding constant of N-1-naphthylcaprohydroxamic acid and N-1-naphmyllaurohydroxarnic acid was found to be respectively 4.1 x 10~2 L mol~(-1) and 3.4 x 10~4 L mol~(-1). The binding constant, number of binding sites and quantum yield were calculated by fluorescence quenching method. Competitive studies with ethidium bromide have shown that the N-1-naphthyllaurohydroxamic acid can displace the ct-DNA-bound ethidium bromide suggesting strong competition with ethidium bromide. The negative value of thermodynamic parameters (ΔG, ΔH, ΔS) and positive value of cell potential (E) showed the spontaneity of the reaction. Binding of hydroxamic acids to ct-DNA was driven mainly by hydrophobic interaction and van der Waals force of attraction. Viscometric studies complimented the spectroscopic studies results, where a small linear increase in the relative viscosity of the ct-DNA solution was observed. The molecular docking was also used to predict the mode of binding of the hydroxamic acids with ct-DNA Conclusively, both hydroxamic acids are found to be strong ct-DNA binders and the modes of binding were intercalative and groove binding for N-1-naphthyllaurohydroxamic acid, N-1-naphthylcaprohydroxamic acid respectively.
机译:通过紫外可见光谱,荧光光谱和粘度测量,研究了生理缓冲液(7.4 pH)中N-1-萘基己羟肟酸与N-1-萘月桂酸羟肟酸和ct-DNA之间的体外相互作用。结果表明,异羟肟酸均与ct-DNA结合。发现N-1-萘基己基异羟肟酸和N-1-萘基月桂基异羟肟酸的结合常数分别为4.1×10〜2L mol〜(-1)和3.4×10〜4L mol〜(-1)。通过荧光猝灭法计算结合常数,结合位点数和量子产率。与溴化乙锭的竞争性研究表明,N-1-萘基月桂基异羟肟酸可以取代ct-DNA结合的溴化乙锭,表明与溴化乙锭的竞争激烈。热力学参数的负值(ΔG,ΔH,ΔS)和电池电势的正值(E)显示了反应的自发性。异羟肟酸与ct-DNA的结合主要是由疏水相互作用和范德华吸引力引起的。粘度测定研究补充了光谱学研究的结果,在该研究中观察到了ct-DNA溶液的相对粘度略有线性增加。分子对接还用于预测异羟肟酸与ct-DNA的结合模式。最终,发现两种异羟肟酸都是强的ct-DNA结合剂,结合方式为N-1-萘月桂基异羟肟酸酯的嵌入和沟槽结合。酸,分别是N-1-萘己基异羟肟酸。

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