Molecular docking and spectroscopic studies on the interaction of new fifth-generation antibacterial drug ceftobiprole with calf thymus DNA |
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| Authors: | Nahid Shahabadi Soraya Moradi Fili Maryam Maghsudi |
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| Institution: | 1. Department of Inorganic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, Iran;2. Medical Biology Research Center (MBRC), Kermanshah University of Medical Sciences, Kermanshah, Irannahidshahabadi@yahoo.com |
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| Abstract: | AbstractThe interaction of the cefobiprole drug with calf thymus DNA (ct-DNA) at physiological pH was investigated by UV-visible spectrophotometry, fluorescence measurement, dynamic viscosity measurements, circular dichroism spectroscopy and molecular modeling. The binding constant obtained of UV–visible was 4?×?104 L mol?1. Moreover, the results of circular dichroism (CD) and viscosity measurements displayed that the binding of the cefobiprole to ct-DNA can change the conformation of ct-DNA. Furthermore, thermodynamic parameters indicated that hydrogen bond and van der waals play main roles in the binding of cefobiprole to ct-DNA. Optimal results of docking, it can be concluded that ceftobiprole-DNA docked model is in approximate correlation with our experimental results. |
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| Keywords: | Ceftobiprole ct-DNA Molecular docking Spectroscopic techniques |
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