Analysis of Relationship Between Some Disazo Dyes Derived from 2,4-Dihydroxyquinoline and Its Anticancer and DNA Binding Properties by Density Functional Theory

2-(5-Phenylthiophen-2-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (Hptip) and its RuII complex [Ru(bpy)2(Hptip)](PF6)2 (where bpy = 2,2′-bipyridine) have been synthesized and characterized by elemental analysis, 1H NMR spectroscopy, and mass spectrometry. The acid–base properties of the complex were studied by UV-visible and luminescence spectrophotometric pH titrations, and ground- and excited-state acidity ionization constants were derived. The DNA-binding properties of [Ru(bpy)2(Hptip)](PF6)2 were also investigated by means of UV-vis and emission spectroscopy, salt effects, steady-state emission quenching by [Fe(CN)6]4–, DNA competitive binding with ethidium bromide, DNA melting experiments, and viscosity measurements. Density functional theoretical calculations were also carried out in order to understand the DNA binding properties.

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Predicting the Oxygen-Binding Properties of Platinum Nanoparticle Ensembles by Combining High-Precision Electron Microscopy and Density Functional Theory

Nano Letters ◽

10.1021/acs.nanolett.6b04799 ◽

2017 ◽

Vol 17 (7) ◽

pp. 4003-4012 ◽

Cited By ~ 25

Author(s):

Jolyon Aarons ◽

Lewys Jones ◽

Aakash Varambhia ◽

Katherine E. MacArthur ◽

Dogan Ozkaya ◽

...

Keyword(s):

Electron Microscopy ◽

Density Functional Theory ◽

High Precision ◽

Density Functional ◽

Oxygen Binding ◽

Binding Properties ◽

Platinum Nanoparticle ◽

Functional Theory

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Experimental and density functional theory (DFT) studies on the DNA-binding trend and spectral properties of two new Ru(II) complexes: [Ru(L)2(mip)](ClO4)2 (L=2,9-dmp and 4,7-dmp)

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2008.07.033 ◽

2008 ◽

Vol 693 (21-22) ◽

pp. 3387-3395 ◽

Cited By ~ 15

Author(s):

Lifeng Tan ◽

Sheng Zhang ◽

Xiaohua Liu ◽

Yuandao Chen ◽

Xuewen Liu

Keyword(s):

Density Functional Theory ◽

Dna Binding ◽

Spectral Properties ◽

Density Functional ◽

Dft Studies ◽

Functional Theory

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New Charge Transfer Complex between 4-Dimethylaminopyridine and DDQ: Synthesis, Spectroscopic Characterization, DNA Binding Analysis, and Density Functional Theory (DFT)/Time-Dependent DFT/Natural Transition Orbital Studies

ACS Omega ◽

10.1021/acsomega.1c05464 ◽

2021 ◽

Author(s):

Mahipal Varukolu ◽

Manojkumar Palnati ◽

Venkatesh Nampally ◽

Suresh Gangadhari ◽

Manaiah Vadluri ◽

...

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Dna Binding ◽

Density Functional ◽

Charge Transfer Complex ◽

Spectroscopic Characterization ◽

Time Dependent ◽

Functional Theory ◽

Binding Analysis

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Anticancer activity, DNA binding and docking study of M(II)-complexes (M=Zn, Cu and Ni) derived from a new pyrazine-thiazole ligand: Synthesis, structure and DFT

New Journal of Chemistry ◽

10.1039/d0nj05883a ◽

2021 ◽

Author(s):

Pradip Bera ◽

Abhishek Aher ◽

Paula Brandão ◽

Sunil Manna ◽

Indranil Bhattacharyya ◽

...

Keyword(s):

Density Functional Theory ◽

Dna Binding ◽

Anticancer Activity ◽

Density Functional ◽

Docking Study ◽

Functional Theory ◽

X Ray ◽

X Ray Crystallography ◽

Ligand Synthesis

A series of structurally related Zn(II), Cu(II) and Ni(II) complexes of 4-(2-(2-(1-(pyrazin-2-yl)ethylidene)hydrazinyl)-thiazol-4-yl)-benzonitrile (PyztbH) have been synthesized and characterized by spectroscopy, single X-ray crystallography and density functional theory (DFT). All the...

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