Department of Chemistry, Istanbul Medeniyet University, 34700 Istanbul, Turkey.
Department of Chemistry, Gaziantep University, 27310 Gaziantep, Turkey; Department of Bioinformatics and Computational Biology, Gaziantep University, 27310 Gaziantep, Turkey.
Spectrochim Acta A Mol Biomol Spectrosc. 2022 Apr 5;270:120787. doi: 10.1016/j.saa.2021.120787. Epub 2021 Dec 28.
Interaction type of modafinil with calf thymus DNA (ct-DNA) was examined systematically using ethidium bromide (EB) as a fluorescence probe by fluorescence spectroscopy, UV-Vis spectroscopy, viscosity and molecular docking method. The fluorescence quenching mechanism of ct-DNA-EB by modafinil can be combination of static and dynamic quenching. Results of UV-Vis absorption, competitive binding with Hoechst 33258, ionic strength effect studies, viscosity measurements were confirmed that the interaction type of modafinil with ct-DNA was intercalation. According to docking studies R-modafinil showed better interaction with ct-DNA which is consistent with known pharmacological properties of modafinil. The calculated thermodynamic parameters, enthalpy and entropy change, suggested that the driven forces are hydrogen bonding or van der Walls forces. Results of the docking studies were compatible with the experimental results and confirmed the hydrogen bond formation between modafinil and ct-DNA.
采用荧光光谱法、紫外可见光谱法、粘度法和分子对接方法，系统研究了莫达非尼与小牛胸腺 DNA（ct-DNA）的相互作用类型，并用溴化乙锭（EB）作为荧光探针。莫达非尼与 ct-DNA-EB 的荧光猝灭机制可能是静态和动态猝灭的结合。紫外可见吸收、与 Hoechst 33258 的竞争结合、离子强度效应研究、粘度测量结果证实，莫达非尼与 ct-DNA 的相互作用类型为嵌入。根据对接研究，R-莫达非尼与 ct-DNA 表现出更好的相互作用，这与莫达非尼的已知药理学特性一致。计算的热力学参数，焓变和熵变，表明驱动力是氢键或范德华力。对接研究结果与实验结果一致，并证实了莫达非尼与 ct-DNA 之间氢键的形成。
