Shahabadi Nahid, Jamshidi Zeinab, Hadidi Saba, Shiri Farshad, Fatahi Navid
Department of Inorganic Chemistry, Faculty of Chemistry, Razi University , Kermanshah , Iran.
Medical Biology Research Center (MBRC), Kermanshah University of Medical Sciences , Kermanshah , Iran.
Nucleosides Nucleotides Nucleic Acids. 2019;38(11):901-919. doi: 10.1080/15257770.2019.1625379. Epub 2019 Jun 7.
The interaction of the [Mn(mef)(phen)HO] complex in which mef is mefenamic acid drug and phen is 1,10 phenanthrolin ligand with calf thymus DNA (ct-DNA) was studied by using different spectroscopic methods, molecular docking and viscometery. The competitive fluorescence and UV-Vis absorption spectroscopy indicated that the complex interacted with ctDNA via intercalating binding mode with the binding constant of 1.16 × 10 Lmol. The thermodynamic studies showed that the reaction between the complex and ctDNA is exothermic. Furthermore, the complex induced changes in DNA viscosity. Circular dichroism spectroscopy (CD) was employed to measure the conformational changes of ctDNA in the presence of the complex and verified intercalation binding mode. The molecular modeling results illustrated that the complex interacted via intercalation by relative binding energy of -28.45 kJ mol.
研究了以甲芬那酸药物为mef、1,10 - 菲咯啉为phen配体的[Mn(mef)(phen)HO]配合物与小牛胸腺DNA(ct - DNA)的相互作用,采用了不同的光谱方法、分子对接和粘度测定法。竞争性荧光和紫外 - 可见吸收光谱表明,该配合物通过插入结合模式与ctDNA相互作用,结合常数为1.16×10 Lmol。热力学研究表明,配合物与ctDNA之间的反应是放热的。此外,该配合物引起了DNA粘度的变化。采用圆二色光谱(CD)来测量在配合物存在下ctDNA的构象变化,并验证了插入结合模式。分子建模结果表明,该配合物通过插入作用相互作用,相对结合能为 - 28.45 kJ mol。