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New Cu(Ii), Ni(Ii) and Zn(Ii) Mixed Ligand Complexes Containing N-Isonicotinamido-Thiophene-2-Carbaldimine and 2-Aminophenol: Access for Promising Antibacterial and Antioxidant Agents, Dft and Molecular Docking Investigation

SSRN, ISSN: 1556-5068
2022
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Metric Options:   Counts1 Year3 Year

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  • Usage
    380
    • Abstract Views
      277
    • Downloads
      103
  • Captures
    1
  • Ratings
    • Download Rank
      453,751

Article Description

New mixed ligand complexes of Cu(II), Ni(II), and Zn(II) with N-Isonicotinamido-Thiophene-2-Carbaldimine (L1) and 2-aminophenol (L2) have been prepared. Complex structures have been established using FT-IR, UV-vis, ESI-MS, molar conductivity studies and elemental analysis. The ligand (L1) showed coordination to the metal ions in the bidentate manner through the oxygen of the carbonyl group and nitrogen of the azomethine group. Magnetic moment values coupled with UV-visible spectra confirmed square planar structure of Ni(II) complex and on the other hand, tetrahedral structure for Cu(II) and Zn(II) complexes. The metal complexes of L1 were tested against Escherichia coli and Pseudomonas sp. Among the tested compounds, Cu(II)complex showed higher antibacterial activity over only Pseudomonas sp . bacterial strain against reference drug kanamycin.Moreover, synthesized metal complexes exhibited moderate antioxidant activity than the Schiff base. Cu(II) complex was found to be most active whereas, Zn(II) complex showed the lowest antioxidantactivity comparable to the BHT. The current metal complexes were theoretically investigated using DFT calculation through 3D structural optimization and molecular orbital’s evaluation. Furthermore, their antimicrobial and antioxidant activities were analyzed using molecular docking approach.

Bibliographic Details

Md.Kudrat -E-Zahan; Farzana Khanm Camellia; Md. Ashrafuzzaman; Md. Ali Asraf; Md. Faruk Hossen; Md. Masuqul Haque; Aly Abdou

Elsevier BV

Multidisciplinary; Schiff base; Metal complexes; antibacterial; antioxidant; DFT; Docking

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