H NMR, powder XRD and thermal analysis studies. Most of metal complexes have exhibit thermal degradation between 80-750 °C and the powder X-rays diffraction data suggest that all the synthesized metal complexes were in nano crystalline phase. The computational molecular docking has been studied using Hex molecular modeling package version 8.2. The three dimensional structure of E. coli MurBenzyme (PDB code 2MBR) was used in microbial activity. The metal complexes showed comparable E total values with the standard drug tetracycline. The antioxidant and antimicrobial activity of prepared compounds indicate agreeable results versus bacterial strains three Gram-positive bacteria; S. aureus, S. pyogenes and P. acnes and three Gram-negative bacteria; E. coli, K. terrigena and K. pneumonia. The antifungal activity gave good results against fungal strains C. albicans, C. neoformans and Trichosporon.
5-methoxyare soluble in almost all organic solvents and are non-electrolytes. Thermal analysis are investigated and showed either two or three thermal decomposition steps. Kinetic parameters such as Ea, ΔH, ΔS and ΔGof the thermal decomposition stages have been evaluated using Broido's method. The antibacterialand antioxidantactivity of the uncoordinated ligand and its metal complexes have been studied.The results indicate that the complexes are more potent when compared to the ligand.the prepared complexes, show that the thermal stability of metal complexes depends essentially on the nature of both the central metal ion and the ligand.The study includes the structural elucidationof the isolated complexes by conventional techniques, their thermaldegradation kinetics by Broido's model. [15] Also, the antioxidantactivity of all complexes using ABTS or DPPH radical scavengingmethods and antibactreial activities havebeen discussed.Synthesis, Characterization, Thermal Degradation Studies of Transition Metal Complexes of 5-Methoxy-5,6-Bis(3-Nitrophenyl) -4, 5-Dihydro-1, 2, 4-Triazine -3 (
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Co(II), Ni(II) and Cu(II) complexes of N and O donor ligand derived from ,5-dinitrosalicylicacid and thiosemicarbazide, the spectroscopy techniques like UV-Visible, FT-IR, NMR, mass spectrometry, p-XRD and SEM analysis were used to structurally characterize the metal complexes. From the analytical and spectral evidence, the square planar and octahedral geometry has been proposed to metal (II) complexes. In addition to this computational density functional theory (DFT) using B3LYP/6-31Gþ(d, p)/Lanl2dz(f) method in the ground state was performed, the calculations were done to confirm the geometry of the complexes and also HOMO-LUMO excitation energies levels were also calculated. Additionally, MTT test was used to perform cytotoxic assays on selected MCF-7 (estrogen receptor-positive human breast cancer cells) and HeLa (human cervical cancer cell line) cell lines. The antibacterial test was performed via the disc plate method against Escherichia coli and Staphylococcus aureus, and was further supported by molecular docking interactions using protein receptor SEC2 (PDB code: 1STE) in Staphylococcus aureus.
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