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首页> 外文期刊>Romanian Journal of Biophysics >A THEORETICAL ANALYSIS OF DRUG-DNA INTERACTIONS: STABILITY OF POLY d(AT) BINDING WITH AMINOSTEROID DIPYRANDIUM
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A THEORETICAL ANALYSIS OF DRUG-DNA INTERACTIONS: STABILITY OF POLY d(AT) BINDING WITH AMINOSTEROID DIPYRANDIUM

机译：药物与DNA相互作用的理论分析：聚d（AT）与拟南芥双歧杆菌结合的稳定性

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In recent years, characterization of the thermodynamics of DNA-drug interactions has acquired considerable interest in rational drug design. The number and variety of techniques committed to evidence drug-DNA interactions is continuously growing. Recent analysis on structure and dynamics of nucleic acid suggest that the DNA helix undergoes conformational transition as function of salt and solvent. The DNA accommodates the drug by changing its conformation in a novel manner that leads folding of DNA by the generation of kinks. The aminosteroid binds to DNA through the minor groove at the kink site and stabilized the drug-DNA complex. In the present study, we reported theoretical analysis of aminosteroid, dipyrandium, binding with poly d(AT) by using an amended Zimm and Bragg theory, to explain the melting behaviour and heat capacity of DNA with and without dipyrandium binding. In this study we used experimental models of Marky et al. [13]. The sharpness of transition has been examined in terms of half width and sensitivity parameter. The results suggested that a range of parameters such as transition profile, sharpness of the transition, heat capacity curve and half widths are in good agreement with the experimental measurements for binding of dipyrandium. An understanding of drug-DNA interactions at the molecular level is important in facilitating the design of new drugs. This theoretical study would represent a further step toward the goal of understanding the stability of nucleic acid interactions with drugs and thus can be applied in biomedical industries.
机译：近年来，DNA-药物相互作用的热力学表征已引起人们对合理药物设计的浓厚兴趣。致力于证明药物与DNA相互作用的技术的数量和种类正在不断增长。最近对核酸的结构和动力学的分析表明，DNA螺旋作为盐和溶剂的功能经历构象转变。 DNA通过以新颖的方式改变其构象来容纳药物，该新的方式通过扭结的产生导致DNA折叠。氨基类固醇通过扭结位点的小沟与DNA结合，并稳定了药物-DNA复合物。在本研究中，我们报告了通过使用修正的Zimm和Bragg理论对氨基类固醇，双嘧啶与聚d（AT）结合的理论分析，以解释具有和不具有双吡啶结合的DNA的熔解行为和热容量。在这项研究中，我们使用了Marky等人的实验模型。 [13]。已根据半宽度和灵敏度参数检查了过渡的清晰度。结果表明，一系列参数（例如过渡曲线，过渡的清晰度，热容曲线和半峰宽）与联吡啶鎓的实验测量值非常吻合。在分子水平上对药物-DNA相互作用的理解对于促进新药物的设计很重要。这项理论研究将代表朝着了解核酸与药物相互作用的稳定性这一目标迈出的又一步，因此可用于生物医学行业。

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