Influence of Ionic Liquids on Thermodynamics of Small Molecule–DNA Interaction: The Binding of Ethidium Bromide to Calf Thymus DNA

2016 ◽  
Vol 120 (10) ◽  
pp. 2691-2700 ◽  
Author(s):  
Arpit Mishra ◽  
Mary Krishna Ekka ◽  
Souvik Maiti
Author(s):  
Cleiton M. da Silva ◽  
Marina M. Silva ◽  
Fabiano S. Reis ◽  
Ana Lúcia T.G. Ruiz ◽  
João E. de Carvalho ◽  
...  

Processes ◽  
2019 ◽  
Vol 8 (1) ◽  
pp. 13
Author(s):  
Khairulazhar Jumbri ◽  
Mohd Azlan Kassim ◽  
Normawati M. Yunus ◽  
Mohd Basyaruddin Abdul Rahman ◽  
Haslina Ahmad ◽  
...  

This work presents a molecular level investigation on the nature and mode of binding between imidazolium-based ionic liquids (ILs) ([Cnbim]Br where n = 2, 4, 6) with calf thymus DNA. This investigation offers valuable insight into the mechanisms of interactions that can affect the structural features of DNA and possibly cause the alteration or inhibition of DNA function. To expedite analysis, the study resorted to using molecular docking and COnductor like Screening MOdel for Real Solvents (COSMO-RS) in conjunction with fluorescence spectroscopic data for confirmation and validation of computational results. Both the fluorescence and docking studies consistently revealed a weak interaction between the two molecules, which corresponded to the binding energy of a stable docking conformation in the range of −5.19 to −7.75 kcal mol−1. As predicted, the rod-like structure of imidazolium-based ILs prefers to bind to the double-helix DNA through a minor groove. Interestingly, the occurrence of T-shape π-π stacking was observed between the amine group in adenine that faces the aromatic ring of imidazole. In addition, data of COSMO-RS for the interaction of individual nucleic acid bases to imidazolium-based ILs affirmed that ILs showed a propensity to bind to different bases, the highest being guanine followed by cytosine, thymine, uracil, and adenine.


2012 ◽  
Vol 2012 ◽  
pp. 1-10 ◽  
Author(s):  
Partha Sarathi Guin ◽  
Piyal Das ◽  
Saurabh Das ◽  
Parikshit Chandra Mandal

Hydroxy-9,10-anthraquinones are cheaper alternatives to anthracycline drugs. They closely resemble anthracycline drugs both from a structural and functional viewpoint. Electrochemical behavior of the Ni(II) complex (Na2[Ni(NaLH)2Cl2]⋅2H2O) of sodium 1,4-dihydroxy-9,10-anthraquinone-2-sulphonate (NaLH2), analogue of the core unit of anthracycline anticancer drugs, was studied at physiological pH using cyclic voltammetry. The Ni(II) complex of sodium 1,4-dihydroxy-9,10-anthraquinone-2-sulphonate undergoes diffusion-controlled one-electron reduction that enables performing an electrochemical study on the interaction of the complex with calf thymus DNA. The complex was titrated with increasing concentrations of DNA, and the reduction peak for the unbound complex helped in evaluating binding parameters. Analysis of binding data using nonlinear curve fit in a cyclic voltammetry experiment is the first such attempt. The paper evaluates site size of interaction that also serves as a means to determine stoichiometry of complex formation, between a metal ion and ligand from a DNA interaction study, probably a first of its kind.


2014 ◽  
Vol 2014 ◽  
pp. 1-8 ◽  
Author(s):  
Partha Sarathi Guin ◽  
Saurabh Das

Electrochemical behavior of the anticancer drug doxorubicin hydrochloride was studied using cyclic voltammetry in aqueous medium using Hepes buffer (pH~7.4). At this pH, doxorubicin hydrochloride undergoes a reversible two-electron reduction withE1/2value −665±5 mV (versus Ag/AgCl, saturated KCl). Depending on scan rates, processes were either quasireversible (at low scan rates) or near perfect reversible (at high scan rates). This difference in behavior of doxorubicin hydrochloride with scan rate studied over the same potential range speaks of differences in electron transfer processes in doxorubicin hydrochloride. Attempt was made to identify and understand the species involved using simulation. The information obtained was used to study the interaction of doxorubicin hydrochloride with calf thymus DNA. Cathodic peak current gradually decreased as more calf thymus DNA was added. The decrease in cathodic peak current was used to estimate the interaction of the drug with calf thymus DNA. Nonlinear curve fit analysis was applied to evaluate the intrinsic binding constant and site size of interaction that was compared with previous results on doxorubicin hydrochloride-DNA interaction monitored by cyclic voltammetry or spectroscopic techniques.


2014 ◽  
Vol 118 (46) ◽  
pp. 13151-13161 ◽  
Author(s):  
Abdulla Al Masum ◽  
Maharudra Chakraborty ◽  
Prateek Pandya ◽  
Umesh Chandra Halder ◽  
Md. Maidul Islam ◽  
...  

RSC Advances ◽  
2016 ◽  
Vol 6 (68) ◽  
pp. 63271-63285 ◽  
Author(s):  
Jagadeesan Ramesh ◽  
Subramaniam Sujatha ◽  
Chellaiah Arunkumar

trans-Dicationic pyridinium porphyrins are superior artificial nucleases compared to their non-fluorinated analogues and bind with calf thymus DNA by outside groove binding with or without self-stacking, also show significant antimicrobial activities.


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