Computational Binding Studies and Bioactivity Evaluation for Certain Schiff Base Metal-complexes Transformed From Ciprofloxacin
Year: 2025
Type: article
Abstract: The current work focuses on using Schiff base ligand a tetra-dentate (cipro-p-phd) made from Ciprofloxacin and p-phenylenediamine. UV-visible spectroscopy, 1H-NMR, FT-IR, TGA, (C.H.N), as well as measuring magnetic susceptibilities, fusion point and molar conductivity were used to examine the compounds. The physical measurement showed that the ligand was linked to the central atoms by oxygen atoms from carboxylate groups and nitrogen atoms from azomethine groups. Based on the measurements all compounds have tetrahedral structure, with the exception of the nickel (II) complex, which has a square planner configuration. Computer simulations and experimental data utilizing Density Functional Theory (DFT) provided additional support. Their radical scavenge activities were evaluated using the (DPPH) 2,2-Diphenyl1-picrylhydazyl assessment in comparison to ascorbic acid. Additionally, both Gram positive and Gram negative bacteria were included in the antibacterial evaluation. The ligand was tested as a ligand with DNA gyrase employing molecular docking studies with S. aurous and E. coli.
Source: Chemical Problems
Authors: Ahmad D. Al-Obedi, Khansaa Sh. Al-Nama
Institution: University of Mosul
Language: English
Subfield: Oncology
Field: Medicine
Domain: Health Sciences
Open Access status: bronze
Funder: University of Mosul
OpenAlex ID: W4409308280