NDLI: An enolato-bridged dinuclear Cu(ii) complex with a coumarin-assisted precursor: a spectral, magnetic and biological study

Content Provider	Royal Society of Chemistry (RSC)
Author	Celikboyun, Pinar Das, Kuheli Massera, Chiara Panda, Uttam Sinha, Chittaranjan Akitsu, Takashiro Mondal, Sudipa Garribba, Eugenio Anand, Kushi Datta, Amitabha Roy, Suman Askun, Tulin Kobayashi, Kana
Copyright Year	2015
Abstract	A new, phenoxo-bridged CuII dinuclear complex Cu2[(L)2(DMF)2] (1) has been obtained by employing the coumarin-assisted tridentate precursor, H2L, [benzoic acid(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-ylmethylene)-hydrazide]. Complex 1 has been systematically characterized by FTIR, UV-Vis, fluorescence and EPR spectrometry. The single crystal X-ray diffraction analysis of 1 shows that the geometry around each copper ion is square pyramidal, comprising two enolato oxygen atoms belonging to different ligands (which assemble the dimer bridging the two metal centers), one imine-N and one phenolic-O atoms of the Schiff base and one oxygen atom from the DMF molecule. The temperature dependent magnetic interpretation agrees with the existence of weak ferromagnetic interactions between the bridging dinuclear Cu(II) ions. Both the ligand and complex 1 exhibit anti-mycobacterial activity and considerable efficacy towards M. tuberculosis H37Rv ATCC 27294 and M. tuberculosis H37Ra ATCC 25177 strains. The cytotoxicity study on human adenocarcinoma cell lines (MCF7) suggests that the ligand and complex 1 have potential anticancer properties. Molecular docking of H2L with the enoyl acyl carrier protein reductase of M. tuberculosis H37Rv (PDB ID: 4U0K) is examined and the best docked pose of H2L shows one hydrogen bond with Thr196 (1.99 Å).
Starting Page	7309
Ending Page	7321
Page Count	13
File Format	HTM / HTML PDF
ISSN	11440546
Volume Number	39
Issue Number	9
Journal	New Journal of Chemistry
DOI	10.1039/c5nj00789e
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Adenocarcinoma Ligand EPR Hydrazide MCF-7 Fluorescence Ion Cytotoxicity Protein dimer ATCC Molecular geometry X-ray crystallography Schiff base Mycobacterium tuberculosis Carboxylic acid Schiff Acyl carrier protein Ferromagnetism Copper Protein Data Bank Hydrogen bond
Content Type	Text
Resource Type	Article
Subject	Chemistry Materials Chemistry Catalysis

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