Molecular docking and spectroscopic studies on the interaction of new fifth-generation antibacterial drug ceftobiprole with calf thymus DNA.

Molecular docking and spectroscopic studies on the interaction of new fifth-generation antibacterial drug ceftobiprole with calf thymus DNA.
Nucleosides Nucleotides Nucleic Acids. 2019 May 14;:1-20
Authors: Shahabadi N, Fili SM, Maghsudi M
Abstract
The 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.
PMID: 31084247 [PubMed - as supplied by publisher]

Source: Nucleosides, Nucleotides and Nucleic Acids - May 16, 2019 Category: Biochemistry Tags: Nucleosides Nucleotides Nucleic Acids Source Type: research