دانلود مقاله با موضوع 2-متوکسی-5-(6-متوکسی پیریدین-3-ایل-ایمینو-متیل)فنل و انتقال آن مجتمع های فلزی
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موضوع به انگلیسی:2-Methoxy-5-(6-methoxypyridin-3-yl-imino-methyl)phenol and its transition
metal complexes as potent antibacterial agents
بخشی از متن:In this study, we have prepared an imine‐based ligand, 2‐methoxy‐5‐((6‐methoxypyridin‐3‐ylimino)methyl)p
henol (MIMP) and its Cu(II), Ni(II) and Zn(II) complexes in 2:1 stoichiometric ratio (2MIMP : Metal). The structure
of obtained ligand and its metal complexes were elucidated with the aid of FT‐IR, UV–Visible, NMR (1H
and 13C) and mass spectra. Further, all the structures were analyzed via density functional theory (DFT)
approach at B3LYP/LanL2DZ/6‐311++G(2d,p) level, with HOMO‐LUMO energies, geometric parameters,
reactivity properties and electronic excitations obtained through TD‐DFT calculations. Antibacterial activity
of MIMP ligand and metal complexes have been evaluated via in vitro assays. In addition, the inhibition of
the protein DNA gyrase‐DNA complex was evaluated using molecular docking calculations, and the results
revealed that biological accessibility of the metal complexes was better than ligand.
