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首页> 外文期刊>Journal of Biomolecular Structure and Dynamics >Characterization of the binding of neomycin/paromomycin sulfate with DNA using acridine orange as fluorescence probe and molecular docking technique
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Characterization of the binding of neomycin/paromomycin sulfate with DNA using acridine orange as fluorescence probe and molecular docking technique

机译：用吖啶橙作为荧光探针与DNA与DNA与DNA结合的表征用作荧光探针和分子对接技术

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摘要

The binding of neomycin sulfate (NS)/paromomycin sulfate (PS) with DNA was investigated by fluorescence quenching using acridine orange (AO) as a fluorescence probe. Fluorescence lifetime, FT-IR, circular dichroism (CD), relative viscosity, ionic strength, DNA melting temperature, and molecular docking were performed to explore the binding mechanism. The binding constant of NS/PS and DNA was 6.70x10(3)/1.44x10(3)Lmol(-1) at 291K. The values of H, S, and G suggested that van der Waals force or hydrogen bond might be the main binding force between NS/PS and DNA. The results of Stern-Volmer plots and fluorescence lifetime measurements all revealed that NS/PS quenching the fluorescence of DNA-AO was static in nature. FT-IR indicated that the interaction between DNA and NS/PS did occur. The relative viscosity and melting temperature of DNA were almost unchanged when NS/PS was introduced to the solution. The fluorescence intensity of NS/PS-DNA-AO was decreased with the increase in the ionic strength. For CD spectra of DNA, the intensity of positive band at nearly 275nm was decreased and that of negative band at nearly 245nm was increased with the increase in the concentration of NS/PS. The binding constant of NS/PS with double-stranded DNA (dsDNA) was larger than that of NS/PS with single-stranded DNA (ssDNA). From these studies, the binding mode of NS/PS with DNA was evaluated to be groove binding. The results of molecular docking further indicated that NS/PS could enter into the minor groove in the A-T rich region of DNA.
机译：通过使用吖啶橙（AO）作为荧光探针，通过荧光猝灭研究Neomycin硫酸盐（NS）/蝶霉素硫酸盐（PS）与DNA的结合。荧光寿命，FT-IR，圆形二色性（CD），相对粘度，离子强度，DNA熔化温度和分子对接进行探索结合机制。 NS / PS和DNA的结合常数在291K时为6.70×10（3）/ 1.44×10（3）Lmol（-1）。 H，S和G的值表明Van der WaaS力或氢键可能是NS / PS和DNA之间的主要结合力。船尾波动图和荧光寿命测量结果均显示NS / PS淬火DNA-AO的荧光本质上是静态的。 FT-IR表明，DNA和NS / PS之间的相互作用发生。当将NS / PS引入溶液时，DNA的相对粘度和熔化温度几乎不变。随着离子强度的增加，NS / PS-DNA-AO的荧光强度降低。对于DNA的Cd光谱，阳性带的强度降低，并且随着NS / PS浓度的增加，近245nm具有近245nm的负带的强度。具有双链DNA（DSDNA）的NS / PS的结合常数大于单链DNA（SSDNA）的NS / PS的结合常数。从这些研究中，评价NS / PS的结合模式与DNA的沟槽结合。分子对接的结果进一步表明ns / ps可以进入富含DNA区域的少量凹槽。

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