...
首页> 外文期刊>Journal of Biomolecular Structure and Dynamics >Investigating the mechanism of binding of nalidixic acid with deoxyribonucleic acid and serum albumin: a biophysical and molecular docking approaches
【24h】

Investigating the mechanism of binding of nalidixic acid with deoxyribonucleic acid and serum albumin: a biophysical and molecular docking approaches

机译:用脱氧核糖核酸和血清白蛋白的萘啶酸结合的机制:生物物理和分子对接方法

获取原文
获取原文并翻译 | 示例
           

摘要

Nalidixic acid is a bacterial DNA gyrase inhibitor and the first member of the synthetic quinolone antibiotics. It is used in the treatment of various infectious diseases like urinary tract infections, respiratory infections, sexually transmitted diseases, acute bronchitis, and sinusitis. Interactions studies are of great significance as it will be beneficial for designing new therapeutic molecules with preferable plasma solubility and its efficacy. In this paper, we have aim to ascertain the binding mode of nalidixic acid with calf thymus DNA (ct-DNA) and bovine serum albumin (BSA) through various biophysical and in silico method. UV-visible absorption and fluorescence spectroscopic experiments confirmed the formation of a complex between nalidixic acid with ct-DNA. The binding constant is in the range of 10(3) M-1, indicating the groove binding mode between ct-DNA and nalidixic acid. Groove binding mode was also validated by competitive displacement assay, potassium iodide quenching experiment, circular dichroism, DNA melting studies. In the case of BSA, UV-visible absorption and fluorescence spectroscopic experiments confirmed the formation of a complex between nalidixic acid with BSA. The value of a binding constant in the case of BSA was found to be 1.517 x 10(5) M-1. The site marker displacement experiment revealed the binding location of nalidixic acid to a site I in BSA. Secondary structural and microenvironmental changes also studied through circular dichroism and three-dimensional fluorescence. Furthermore, the synchronous fluorescence spectra of BSA with nalidixic acid showed that there were changes in the microenvironment around tryptophan residues. In silico molecular docking further confirmed the binding of nalidixic acid to site I in BSA and the minor groove of DNA. Communicated by Ramaswamy H. Sarma
机译:萘啶酸是一种细菌DNA回转酶抑制剂,是合成喹诺酮类抗生素的第一员。用于治疗各种传染病,如尿路感染、呼吸道感染、性传播疾病、急性支气管炎和鼻窦炎。相互作用研究具有重要意义,因为它将有助于设计具有更好的血浆溶解性和疗效的新治疗分子。本文旨在通过各种生物物理和电子方法确定萘啶酸与小牛胸腺DNA(ct DNA)和牛血清白蛋白(BSA)的结合方式。紫外-可见吸收和荧光光谱实验证实萘啶酸与ct DNA之间形成复合物。结合常数在10(3)M-1范围内,表明ct DNA与萘啶酸之间存在沟槽结合模式。凹槽结合模式也通过竞争置换实验、碘化钾猝灭实验、圆二色性、DNA熔化研究进行了验证。就牛血清白蛋白而言,紫外-可见吸收和荧光光谱实验证实了萘啶酸与牛血清白蛋白之间形成复合物。发现BSA的结合常数为1.517 x 10(5)M-1。位点标记置换实验揭示了萘啶酸与BSA中位点I的结合位置。二级结构和微环境的变化也通过圆二色谱和三维荧光进行了研究。此外,牛血清白蛋白与萘啶酸的同步荧光光谱表明,色氨酸残基周围的微环境发生了变化。在硅分子对接中,进一步证实了萘啶酸与BSA中的位点I和DNA小沟的结合。由Ramaswamy H.Sarma传达

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号