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Bovine serum albumin interaction, molecular docking, anticancer and antimicrobial activities of Co(II) Schiff base complex derived from Nophen ligand

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS(2022)

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摘要
In this report, synthesis, characterization, biological and molecular modeling studies of Nophen Schiff base [N,N-bis(2-hydroxy-1-naphthaldehyde)-o-phenylenediamine] and Co(II)-Nophen complex have been furnished. BSA binding affinities of the ligand and Co(II)-Nophen complex have been appraised by UV-visible, fluorescence and cyclic voltammetric techniques. Spectroscopic measurements indicate strong binding of the complex with BSA protein through static quenching mechanism with binding constant in the order of 10(4) M-1. The negative shift of the peak potential in cyclic voltammetry suggested an electrostatic interaction. Molecular docking analysis reveals significant binding affinity (-63 kcal/mol) of the complex towards BSA protein. It is amazing that the in vitro cytotoxicity of Co(II)-Nophen complex against A549 cell lines (Human lung carcinoma cells) has remarkable potentials with 29 +/- 1.2 mu M as IC50 value. Comparing the biological activity towards microorganisms, Co(II)Nophen complex show substantial response than the Nophen ligand. [GRAPHICS] .
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关键词
A549 cell lines,cytotoxicity,BSA interaction,antimicrobial activity,molecular docking,Nophen ligand
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