Syntheses of Zn(II) and Cu(II) Schiff base complexes using N,O donor Schiff base ligand: Crystal structure, DNA binding, DNA cleavage, docking and DFT study

被引：60
|
作者：
Ghorai, Pravat [1 ]
Saha, Rumpa [1 ]
Bhuiya, Sutanwi [1 ]
Das, Suman [1 ]
Brandao, Paula [2 ]
Ghosh, Dipanjan [3 ]
Bhaumik, Tanurima [1 ]
Bandyopadhyay, Parbati [4 ]
Chattopadhyay, Dhrubajyoti [5 ]
Saha, Amrita [1 ]
机构：
[1] Jadavpur Univ, Dept Chem, Kolkata 700032, India
[2] Univ Aveiro, CICECO, Dept Quim, P-3810193 Aveiro, Portugal
[3] NIPER, Kolkata 700032, India
[4] Fergusson Coll, Dept Chem, Pune 411006, Maharashtra, India
[5] Amity Univ, Kolkata 700135, India
来源：
POLYHEDRON | 2018年 / 141卷
关键词：
Zn(II) and Cu(II) Schiff base complexes; Crystal structure; DNA binding and cleavage studies; DFT calculations; Molecular docking analysis; DENSITY-FUNCTIONAL THEORY; EFFECTIVE CORE POTENTIALS; SET MODEL CHEMISTRY; IN-VITRO; MOLECULAR CALCULATIONS; EXCITATION-ENERGIES; COPPER(II) COMPLEX; CYTOTOXIC ACTIVITY; SELECTIVE BINDING; PROTEIN-BINDING;
D O I：
10.1016/j.poly.2017.11.041
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Two mononuclear Schiff base complexes, [Zn(L)(2)] (1) and [Cu(L)(2)] (2) are synthesized involving bidentate N,O-donor ligand viz. 2-((E)-(3-methoxypropylimino)methyl)-6-methoxyphenol. Different spectroscopic tools like FTIR, UV-Vis, H-1 NMR, C-13 NMR etc. have been deployed to characterize complexes 1 and 2. Complex 1 has been analyzed using single crystal X-ray diffraction analysis method. Complexes 1 and 2 show affinity towards A-T rich sequence of DNA which is further supported by molecular docking analysis. Interestingly, only complex 2 exhibits oxidative DNA cleavage activity in presence of H2O2 which is investigated by gel electrophoresis method. Complex I is found to be nontoxic whereas complex 2 is cytotoxic. (C) 2017 Elsevier Ltd. All rights reserved.
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收藏
页码：153 / 163
页数：11
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