Synthesis, structure, DNA/BSA binding, antibacterial and molecular docking studies of tetradentate ONNO schiff base metal complexes

被引:19
作者
Salomanravi, A. [1 ]
Muthuselvan, P. [2 ]
Paularokiadoss, Francisxavier [3 ]
Jeyakumar, Thayalaraj Christopher [4 ]
机构
[1] Manonmaniam Sundaranar Univ, St Johns Coll, Res Dept Chem, Tirunelveli, Tamil Nadu, India
[2] St Johns Coll, Res Dept Chem, Tirunelveli, Tamil Nadu, India
[3] St Josephs Coll Arts & Sci Autonomous, PG & Res Dept Chem, Cuddalore, Tamil Nadu, India
[4] Amer Coll Autonomous, PG & Res Dept Chem, Madurai, Tamil Nadu, India
关键词
Schiff base; Metal complexes; Antibacterial; Antioxidant; DFT; MESP; Docking; DNA-BINDING; THEORETICAL INVESTIGATIONS; SPECTRAL CHARACTERIZATION; ENERGY; LIGAND; ANTIOXIDANT; DERIVATIVES; COPPER(II);
D O I
10.1016/j.molstruc.2023.135570
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A new Schiff base ligand 3-bis((E)-2 hydroxy-3-methoxybenzylidene)amino) malononitrile was synthesized by combining O-vanillin and 2, 3-diaminomaleonitrile. This ligand was subsequently complexed with Copper (II), Nickel (II) and Vanadyl (IV) metal ions. Using FT-IR, NMR and MS spectroscopic techniques, the synthesized malononitrile ligand and the Copper (II), Nickel (II) and Vanadyl (IV) metal complexes were investigated. The reliability of the geometrical parameters of the synthesized Copper (II), Nickel (II) and Vanadyl (IV) metal complexes was confirmed by electronic spectra, EPR analysis, and magnetic moment measurements. The calo-rimetric technic was employed to study the DNA binding to BSA. Concerning the Gram-positive and Gram -negative bacterial species Bacillus substilis, Staphylococcus aureus, Escherichia coli, Pseudomonas fluorescens, and Bacillus cereus, all of the metal complexes under investigation demonstrated antibacterial activity when compared to tetracycline. When Schiff base and its metal complexes were screened for in vitro antioxidant ac-tivity, the Ni(II) complex had better antioxidant activity than the ligand and other metal complexes, which was further substantiated by molecular docking.
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页数:12
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