Department of Medicinal Chemistry, School of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, Iran; Department of Medicinal Chemistry, Faculty of Pharmacy - International Campus, Iran University of Medical Sciences, Tehran, Iran.
Department of Medicinal Chemistry, School of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah, Iran.
Chem Biol Interact. 2016 Oct 25;258:89-101. doi: 10.1016/j.cbi.2016.08.020. Epub 2016 Aug 26.
Ferulago macrocarpa (Fenzl) Boiss., is an endemic medicinal herb of Iran. In this study a dihydrofuranocoumarin called grandivittin (GRA) was separate and purified from Ferulago macrocarpa (Fenzl) Boiss, and characterized by (1)H NMR and Mass spectroscopic methods. The electrochemical behavior of GRA was evaluated by cyclic voltammetry (CV). The interaction of GRA with calf thymus double strand deoxyribonucleic acid (ct-DNA), was evaluated by CV, differential pulse voltammetry (DPV), fluorescence, UV-Vis, FT-IR and molecular modeling methods. The thermodynamic parameters of GRA-DNA complex were measured and reported as: ΔH = 15.04 kJ mol(-1), ΔS = 105.54 J mol(-1) and ΔG = -15.62 kJ mol(-1). Docking simulation was performed to investigate the probable binding mode of GRA to various DNA, too. The polymerase extension study was performed using real-time PCR to confirm the inhibitory effect of GRA on polymerase extension activity as a mirror of binding to ct-DNA. However, all data showed that the grooves binding especially minor groove between GRA and ct-DNA is more predominant rather than other binding modes.
大根独活（Fenzl）Boiss.是伊朗特有的药用草本植物。在这项研究中，从大根独活（Fenzl）Boiss.中分离并纯化出一种二氢呋喃香豆素，称为大根维亭（GRA），并通过（1）H NMR 和质谱方法进行了表征。通过循环伏安法（CV）评估了 GRA 的电化学行为。通过 CV、差示脉冲伏安法（DPV）、荧光、UV-Vis、FT-IR 和分子建模方法评估了 GRA 与小牛胸腺双链脱氧核糖核酸（ct-DNA）的相互作用。测量并报告了 GRA-DNA 复合物的热力学参数为：ΔH = 15.04 kJ mol(-1)，ΔS = 105.54 J mol(-1)和ΔG = -15.62 kJ mol(-1)。还进行了对接模拟，以研究 GRA 与各种 DNA 的可能结合模式。使用实时 PCR 进行聚合酶延伸研究，以确认 GRA 对聚合酶延伸活性的抑制作用，作为与 ct-DNA 结合的反映。然而，所有数据表明，GRA 与 ct-DNA 之间的沟槽结合，特别是小沟结合更为主要，而不是其他结合模式。
