Medicinal-Pharmaceutical Chemistry Commons^™

A Novel Ibuprofen Derivative And Its Complexes: Physicochemical Characterization, Dft Modeling, Docking, In Vitro Anti-Inflammatory Studies, And Dna Interaction, Abbas M. Abbas, Ahmed Aboelmagd, Safaa M. Kishk, Hossam H. Nasrallah, W. Christropher Boyd, Haitham F. Kalil, Adel S. Orabi

Chemistry Faculty Publications

A novel derivative of ibuprofen and salicylaldehyde N '-(4-hydroxybenzylidene)-2-(4-isobutylphenyl) propane hydrazide (HL) was synthesized, followed by its complexation with Cu, Ni, Co, Gd, and Sm. The compounds obtained were characterized by (HNMR)-H-1, mass spectrometry, UV-Vis spectroscopy, FT-IR spectroscopy, thermal analysis (DTA and TGA), conductivity measurements, and magnetic susceptibility measurements. The results indicate that the complexes formed were [Cu(L)(H2O)]Cl center dot 2H(2)O, [Ni(L)(2)], [Co(L)(2)]center dot H2O, [Gd(L)(2)(H2O)(2)](NO3)center dot 2H(2)O and [Sm(L)(2)(H2O)(2)](NO3)center dot 2H(2)O. The surface characteristics of the produced compounds were evaluated by DFT calculations using the MOE environment. The docking was performed against the COX2 targeting protein (PDB code: 5IKT …