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 ¹HNMR, 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·2H₂O, [Ni(L)₂], [Co(L)₂]·H₂O, [Gd(L)₂(H₂O)₂](NO₃)·2H₂O and [Sm(L)₂(H₂O)₂](NO₃)·2H₂O. 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 Homo sapiens). The binding energies were −7.52, −9.41, −9.51, −8.09, −10.04, and −8.05 kcal/mol for HL and the Co, Ni, Cu, Sm, and Gd complexes, respectively, which suggests the enhancement of anti-inflammatory behaviors compared with the binding energy of ibuprofen (−5.38 kcal/mol). The anti-inflammatory properties of the new compounds were assessed in vitro using the western blot analysis method and the enzyme-linked immunosorbent assay (ELISA), consistent with the outcomes obtained from docking. The half-maximal inhibitory concentration (IC₅₀) values are 4.9, 1.7, 3.7, 5.6, 2.9, and 2.3 µM for HL and the Co, Ni, Cu, Sm, and Gd complexes, respectively, showing that they are more effective inhibitors of COX2 than ibuprofen (IC₅₀ = 31.4 µM). The brain or intestinal estimated permeation method (BOILED-Egg) showed that HL and its Co complex have high gastrointestinal absorption, while only the free ligand has high brain penetration. The binding constants of Co, Cu, and Gd complexes with DNA were recorded as 2.20 × 10⁴, 2.27 × 10^6, and 4.46 × 10³ M⁻¹, respectively, indicating the intercalator behavior of interaction. The newly synthesized ibuprofen derivative and its metal complexes showed greater anti-inflammatory activity than ibuprofen.

A new ibuprofen derivative, (E)-2-(4-isobutylphenyl)-N′-(4-oxopentan-2-ylidene) propane hydrazide (IA), was synthesized, along with its metal complexes with Co, Cu, Ni, Gd, and Sm, to investigate their anti-inflammatory efficacy and COX-2 inhibition potential. Comprehensive characterization, including ¹H NMR, MS, FTIR, UV–vis spectroscopy, and DFT analysis, were employed to determine the structural configurations, revealing unique motifs for Gd/Sm (capped square antiprismatic/tricapped trigonal prismatic) and Cu/Ni/Co (octahedral) complexes. Molecular docking with the COX-2 enzyme (PDB code: 5IKT) and pharmacokinetic assessments through SwissADME indicated that these compounds have superior binding energies and pharmacokinetic profiles, including BBB permeability and gastrointestinal absorption, compared to the traditional ibuprofen standalone. Their significantly lower IC50 values further suggest a higher efficacy as anti-inflammatory agents and COX-2 inhibitors. These research findings not only introduce promising ibuprofen derivatives for therapeutic applications but also set the stage for future validation and exploration of this new generation of ibuprofen compounds.

Peroxynitrite (ONOO−, PON) is a powerful oxidizing agent generated in vivo by the diffusion-limited reaction of nitric oxide (NO) and superoxide (O₂˙⁻) radicals. Under oxidative stress, cumulated peroxynitrite levels are associated with chronic inflammatory disorders and other pathophysiological conditions. The accurate detection of peroxynitrite in biological systems is important, not only to understand the genesis and development of diseases, but also to explore and design potential therapeutics. Herein, a manganese oxide/hemin-modified graphene interface is explored as a platform for peroxynitrite amperometric detection. Hemin-functionalized reduced graphene oxide was further modified with manganese oxide nanoparticles to provide a composite material with catalytic activity toward the electrochemical oxidation of peroxynitrite. The morphology of the composite material was characterized using scanning electron microscopy, energy dispersive X-ray analysis, X-ray photoelectron spectroscopy, and UV-Vis absorption measurements. We investigated the electrocatalytic oxidation of peroxynitrite on graphite electrodes modified with the composite material using cyclic voltammetry and amperometry. The results showed that the incorporation of manganese oxide nanoparticles into graphene/hemin material enhances the catalytic detection of peroxynitrite compared to graphene/hemin alone.

The demand for reactive dyes in industries has increased rapidly in recent years, and producing a large quantity of dye-containing effluent waste contaminates soils and water streams. Current efforts to remove these harmful dyes have focused on utilizing functionalized nanomaterials. A 3D polyurethane foam loaded with reduced graphene oxide (rGO) and ZnO nanocomposite (PUF/rGO/ZnO) has been proposed as an efficient structural design for dye degradation under the influence of visible light. The proposed structure was synthesized using a hydrothermal route followed by microwave irradiation. The resultant 3D PUF/rGO/ZnO was examined and characterized by various techniques such as XRD, FTIR, SEM, EDAX, BET, and UV–visible spectroscopy. SEM data illustrated that a good dispersion and embedment of the rGO/ZnO NPs within the PUF matrix occurred. The adsorption capacity for neat PUF showed that around 20% of the Methylene blue (MB) dye was only adsorbed on its surface. However, it was found that an exceptional adsorption capacity for MB degradation was observed when the rGO/ZnO NPs inserted into the PUF, which initially deteriorated to ~ 70 % of its initial concentration. Notably, the MB dye was completely degraded within 3 h.