Synthesis and structure of a new mononuclear copper(II) complex with 2,2ʹ-bipyridine and picrate: molecular docking, DNA-binding, and <i>in vitro</i> anticancer activity

Liu, Minglu; Jiang, Man; Zheng, Kang; Li, Yan‐Tuan; Wu, Zhi‐Yong; Yan, Cui‐Wei

doi:10.1080/00958972.2014.884218

Cited by 27 publications

(13 citation statements)

References 58 publications

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“…Using optimal energy, the complexes inserted into the minor grooves (figure 9) of DNA fragments and hydrophobic forces play main roles in the binding. There are hydrophobic contacts between C2 and C3 with DG2 and DG22, between C12 and C13 with DA5 and DC21 for copper complex and for Ni complex there are hydrophobic contacts between C2 and C3 with DG4, DG22 and also between C12 and C13 with [51]. This indicated again that hydrogen bonds played an important role in the binding of the complexes to DNA.…”

Section: Molecular Docking Studies On the Interaction Mechanism Of Comentioning

confidence: 75%

“…Docking is important in the study of various properties associated with protein-ligand interactions such as binding energy, geometry complementarily, electron distribution, hydrogen bond donor acceptor properties, hydrophobicity and polarizability [51]. In this study, docking was carried out to complement the experimental data.…”

Section: Molecular Docking Studies On the Interaction Mechanism Of Comentioning

confidence: 99%

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Synthesis, characterization and comparative DNA interaction studies of new copper(II) and nickel(II) complexes containing mesalamine drug using molecular modeling and multispectroscopic methods

Shahabadi

Fili

Shahlaei

2015

Journal of Coordination Chemistry

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Complexes of copper(II) and nickel(II) containing the drug mesalamine (5-ASA) have been synthesized and characterized by FT-IR, mass and UV-vis spectra, elemental analysis and theoretical methods. The binding interactions between mesalamine and its Cu(II) and Ni(II) complexes with calf thymus DNA (ct-DNA) were investigated using absorption, fluorescence emission and circular dichroism spectroscopies, and viscosity measurements. Absorption spectra of 5-ASA, Cu(II) and Ni(II) complexes showed hypochromism. The calculated binding constants (K b ) obtained from UV-vis absorption studies were 1.27×10 3 , 1.6×10 3 and 1.2×10 4 M -1 for 5-ASA, Cu(II) and Ni(II) complexes, respectively. The compounds induced detectable changes in the CD spectra of ct-DNA (B→A structural transition, B→C structural transition and stabilization of the right-handed B form, for mesalamine, Cu(II) and Ni(II) complexes, respectively). The competitive binding experiments with Hoechst 33258 indicated that 5-ASA and copper complex could interact as groove binders. Furthermore, Ni complex had no effect on the fluorescence intensity and peak position of MB-DNA system. Finally, the results obtained from experimental and molecular modeling showed that complexes bind to DNA via minor groove binding.

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Section: Molecular Docking Studies On the Interaction Mechanism Of Comentioning

confidence: 75%

Section: Molecular Docking Studies On the Interaction Mechanism Of Comentioning

confidence: 99%

Synthesis, characterization and comparative DNA interaction studies of new copper(II) and nickel(II) complexes containing mesalamine drug using molecular modeling and multispectroscopic methods

Shahabadi

Fili

Shahlaei

2015

Journal of Coordination Chemistry

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“…1,10-phenanthroline (phen) was obtained from Guangzhou Chemical Reagent Factory. VO(acac) 2 were purchased from Alfa Aesar, thiosemicarbazide (TSC) was purchased from TCI, CT-DNA and pBR322 supercoiled plasmid DNA were obtained from Sigma. Cell lines of CaSki, SiHa, K562, HepG2, EC9706 and EC109 were purchased from American Type Culture Collection.…”

Section: Methodsmentioning

confidence: 99%

“…The oxovanadium complexes 1-3 were synthesized by refluxing of corresponding ligand, VO(acac) 2 and phenanthroline-based ligand in absolute methanol. The desired complexes were purified by recrystallization.…”

Section: Synthesis Of Ligands and V-complexesmentioning

confidence: 99%

“…In recent years, more and more biochemists and pharmacologists have paid their attention to research on other transition metal complexes such as ruthenium (II), copper (II), zinc (II), nickel (II), cobalt (II) complexes compared with traditional platinum compounds in treatment of human cancer due to their potential applications as chemical and stereoselective probes of nucleic acid structures as well as diverse biological activities [1][2][3][4][5]. As a trace bioelement existing in the human body, vanadium has been found to present a variety of physiological activities such as nutritional metabolism [6], insulin mimetic effect [7], as well as closely connected with cell apoptosis and cancer [8].…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, DNA-binding, Photocleavage and in vitro Cytotoxicity of Novel Imidazole[4,5-f][1,10]phenanthroline-based Oxovanadium Complexes

Ying¹

2014

Med chem

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Two Ho(III) and Co(II) complexes constructed from bis(triazol‐1‐yl)benzoic acid with structurally similar carboxyl ligands: Syntheses, structures and biological activities

Zhu

Wang

Meng

et al. 2018

Applied Organom Chemis

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Two new complexes, [Ho(L) 2 NO 3 ] n (1) and [Co(L′) 2 Cl 4 ] n (2) (HL = 3,5bis(triazol-1-yl)benzoic acid, HL′ = 2,4-bis(triazol-1-yl)benzoic acid), have been synthesized and characterized. Interactions with DNA through absorption titration experiments, fluorescence spectra, viscosity measurements and a molecular docking study were examined. The results suggested that complexes 1 and 2 interact with DNA in a partial intercalation mode. DNA binding affinity was determined using k b values, which indicated that the binding activity of the complexes to DNA was complex 2 (k b = 1.93 × 10 4 ) > complex 1 (k b = 1.06 × 10 4 ). Gel electrophoresis assay demonstrated that the complexes have the ability to cleave pBR322 DNA. Apoptotic assay indicated that the complexes can induce programmed death of Hela cells (human cervix carcinoma cells). A cytotoxicity study indicated that complex 2 shows a greater inhibitory rate of Hela cells than complex 1 and the cytotoxicity of both 1 and 2 showed time dependence. Especially, the efficacy of complex 2 was shown to be higher than that of cisplatin at 72 h.

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Synthesis and structure of a new mononuclear copper(II) complex with 2,2ʹ-bipyridine and picrate: molecular docking, DNA-binding, and in vitro anticancer activity

Cited by 27 publications

References 58 publications

Synthesis, characterization and comparative DNA interaction studies of new copper(II) and nickel(II) complexes containing mesalamine drug using molecular modeling and multispectroscopic methods

Synthesis, characterization and comparative DNA interaction studies of new copper(II) and nickel(II) complexes containing mesalamine drug using molecular modeling and multispectroscopic methods

Synthesis, DNA-binding, Photocleavage and in vitro Cytotoxicity of Novel Imidazole[4,5-f][1,10]phenanthroline-based Oxovanadium Complexes

Two Ho(III) and Co(II) complexes constructed from bis(triazol‐1‐yl)benzoic acid with structurally similar carboxyl ligands: Syntheses, structures and biological activities

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