A synthesis of semicarbazide derivative like N-phenyl-2-(pyridin-4-ylcarbonyl) hydrazine carboxamide by the reaction of isoniazid and phenyl isocyanate has been done, using this ligand and their 3d metal ions such as Ni II , Co II , Cu II , Zn II and Mn II complexes were synthesized. The ligand and their metal complexes have been characterized by different analytical techniques, such as elemental analyses, molar conductivity measurements, UV-Visible, Fourier Transform Infra-Red (FTIR), Proton Nuclear Magnetic Resonance ( 1 H-NMR), Carbon-13 Nuclear Magnetic Resonance ( 13 C-NMR), Liquid Chromatography–Mass Spectrometry (LCMS), Powder X-ray Diffraction (PXRD) and Thermo Gravemetric Analysis (TGA) studies. The antioxidant, antimicrobial and antifungal activity of these compounds reported agreeable results against bacterial strains and fungal strains. The molecular docking studies for synthesized complexes exhibited excellent binding energy interaction with protein enzymes.
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