Novelmanganese(II), iron(III), cobalt(II), nickel(II), and copper(II) chelates were synthesized and studied using elemental analysis (EA), infrared spectroscopy, mass spectrometry, ultraviolet-visible spectroscopy, and conductivity, as well as magnetic measurements and thermogravimetric analysis (TG). The azo-ligand 1-[(4-nitrophenyl)diazenyl]-2-naphthol (HL) chelates to the metal ions via the nitrogen and oxygen centers of the azo group and the hydroxyl, respectively. The amounts of H₂O present and its precise position were identified by thermal analysis. Density functional theory (DFT) was employed to theoretically elucidate the molecular structures of the ligand and the metal complexes. Furthermore, the quantum chemical parameters were also evaluated. The antimicrobial properties were evaluated against a group of fungal and bacterial microbes. Interestingly, the bioactivity of the complexes is enhanced compared to free ligands. Within this context, the CuL complex manifested the lowest activity, whereas the FeL complex had the greatest. Molecular docking was used to foretell the drugs’ binding affinity for the structure of Escherichia coli (PDB ID: 1hnj). Protein-substrate interactions were resolved, and binding energies were accordingly calculated.

A novel series of ciprofloxacin hybrids comprising various heterocycle derivatives has been synthesized and structurally elucidated using ¹H NMR, ¹³C NMR, and elementary analyses. Using ciprofloxacin as a reference, compounds 1–21 were screened in vitro against Gram-positive bacterial strains such as Staphylococcus aureus and Bacillus subtilis and Gram-negative strains such as Escherichia coli and Pseudomonas aeruginosa. As a result, many of the compounds examined had antibacterial activity equivalent to ciprofloxacin against test bacteria. Compounds 2–6, oxadiazole derivatives, were found to have antibacterial activity that was 88 to 120% that of ciprofloxacin against Gram-positive and Gram-negative bacteria. The findings showed that none of the compounds tested had antifungal activity against Aspergillus flavus, but did have poor activity against Candida albicans, ranging from 23% to 33% of fluconazole, with compound 3 being the most active (33% of fluconazole). The most potent compounds, 3, 4, 5, and 6, displayed an IC₅₀ of 86, 42, 92, and 180 nM against E. coli DNA gyrase, respectively (novobiocin, IC₅₀ = 170 nM). Compounds 4, 5, and 6 showed IC₅₀ values (1.47, 6.80, and 8.92 µM, respectively) against E. coli topo IV in comparison to novobiocin (IC₅₀ = 11 µM).

As a result of some major problems that come from using insecticides, the use of safe alternatives to these pesticides has become very necessary. Thus, a novel series of predicted toxicologically active urea, thiourea, thiosemicarbazide, oxadiazole, pyrazole, and triazine derivatives have been synthesized in a pure form to be lufenuron analogues as insect growth regulators which were screened and examined against Spodoptera littoralis (Boisd). The structure of synthesized compounds was established by means of spectroscopic and elemental analyses. Compounds b5, b2, b3, and a4 showed high insecticidal toxicity, and their LC₅₀ values for the second larvae instar were found to be 26.63, 46.35, and 60.84 ppm, respectively, whereas the LC₅₀ value for lufenuron as a reference insecticide was 17.01 ppm.