Binding Studies of Isoxsuprine Hydrochloride to Calf Thymus DNA Using Multispectroscopic and Molecular Docking Techniques

被引:0
作者
Sadegh Salehzadeh
Farshid Hajibabaei
Neda Hosseinpour Moghadam
Samira Sharifinia
Sadegh Khazalpour
Reza Golbedaghi
机构
[1] Bu-Ali Sina University,Faculty of Chemistry
[2] Payame Noor University,Chemistry Department
来源
Journal of Fluorescence | 2018年 / 28卷
关键词
Isoxsuprine; DNA interaction; Molecular docking; DFT; Groove binding;
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学科分类号
摘要
In the present work, the interaction of Isoxsuprine (ISX) with Calf thymus DNA (ct-DNA) under physiological conditions (Tris–HCl buffer of pH 7.4) was investigated by using electronic absorption, circular dichroism, viscosity, electrochemical studies, fluorescence techniques, salt effect studies and computational studies. Competitive fluorimetric studies with Hoechst 33258 have shown that ISX exhibit the ability to displace the DNA-bound Hoechst 33258, indicating that it binds to ct-DNA in strong competition with Hoechst 33258 for the minor groove binding. Furthermore, the resulting data showed that ISX cannot displace methylene blue or acridine orange, which are the common intercalator molecules. The viscosity of ct-DNA solution was almost unchanged on addition of ISX and circular dichroism (CD) spectra of ct-DNA showed small changes in the presence of ISX which is in agreement with groove binding mode of interaction. Thus all above studies showed that the ISX drug binds to ct-DNA in a groove binding mode.The salt-effect studies showed the non-electrostatic nature of binding of ISX to ct-DNA. Moreover, molecular docking results support the above experimental data and suggest that ISX prefers to bind on the minor groove of ct-DNA.
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页码:195 / 206
页数:11
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