Insights on the Interaction Mechanism of Methocarbamolto ct-DNA by Multispectral Techniques and Molecular Docking

In the present study, the interactions between Methocarbamol drug and calf thymus deoxyribonucleic acid (ct-DNA) were explored by multi spectroscopic techniques (UV-Visible and fluorescence) and molecular docking simulation under the physiological conditions (pH=۷.۴۰). The significant changes in the absorption spectra of ct-DNA in the presence of the Methocarbamol implied the interaction between Methocarbamol and ct-DNA. Upon addition of ct-DNA, the fluorescence emission intensity of Methocarbamol was decreased and indicated the interaction between Methocarbamol and ct-DNA was occurred. The thermodynamic parameters such as enthalpy change (ΔHº) and entropy change (ΔSº) showed that the acting forces between Methocarbamol and ct-DNA mainly included hydrophobic interactions. Molecular docking simulation affirmed that Methocarbamol is located in the minor groove of ct-DNA near the DG۱۰, DC۱۵, and DG۱۶ nucleobases

Keywords:

Drug , Interaction , Methocarbamol , ct-DNA , Multi spectroscopic , Molecular Docking