scholarly journals Fluorescence and Molecular Simulation Studies on the Interaction between Imidazolium-Based Ionic Liquids and Calf Thymus DNA

Processes ◽  
2019 ◽  
Vol 8 (1) ◽  
pp. 13
Author(s):  
Khairulazhar Jumbri ◽  
Mohd Azlan Kassim ◽  
Normawati M. Yunus ◽  
Mohd Basyaruddin Abdul Rahman ◽  
Haslina Ahmad ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Double Helix ◽  
Structural Features ◽  
Docking Studies ◽  
Calf Thymus Dna ◽  
Valuable Insight ◽  
Screening Model ◽  
Calf Thymus ◽  
A Minor ◽  
Insight Into

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.

Ce(IV)-mediated formation of benzenediazonium ion from a non-aminoazo dye, 1-phenylazo-2-hydroxy-naphthalene (Sudan I) and its binding to DNA

1989 ◽  
Vol 54 (7) ◽  
pp. 2021-2026
Author(s):  
Marie Stiborová ◽  
Befekadu Asfaw ◽  
Pavel Anzenbacher
Keyword(s):  
Azo Dyes ◽  
Acidic Medium ◽  
Model System ◽  
Calf Thymus Dna ◽  
Suitable Model ◽  
Principal Product ◽  
Calf Thymus ◽  
Sudan I ◽  
A Minor

Ce(IV) ions in acidic medium convert a carcinogenic non-aminoazo dye, 1-phenylazo-2-hydroxy-naphthalene (Sudan I) into an ultimate carcinogen, which binds to calf thymus DNA. The principal product of Sudan I oxidation by the Ce(IV) system is the benzenediazonium ion. A minor product is the dihydroxyderivative of Sudan I, 1-(4-hydroxyphenylazo)-2,6-dihydroxynaphthalene. Other minor coloured products (yellow and brown) were not identified. The principal product (the benzenediazonium ion) is responsible for the carcinogenicity of Sudan I, as it covalently binds to DNA. Ce(IV) ions in acidic medium represent a suitable model system, which imitates the activation route of carcinogenic azo dyes.

Binding of an anionic fluorescent probe with calf thymus DNA and effect of salt on the probe–DNA binding: a spectroscopic and molecular docking investigation

RSC Advances ◽  
2014 ◽  
Vol 4 (108) ◽  
pp. 63549-63558 ◽  
Author(s):  
Saptarshi Ghosh ◽  
Pronab Kundu ◽  
Bijan Kumar Paul ◽  
Nitin Chattopadhyay
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Fluorescent Probe ◽  
Binding Mode ◽  
Docking Studies ◽  
Calf Thymus Dna ◽  
Molecular Docking Studies ◽  
Biologically Relevant ◽  
Calf Thymus

Binding mode of biologically relevant anionic probe, ANS, with ctDNA is divulged from spectroscopic and molecular docking studies.

Synthesis, biological investigation, calf thymus DNA binding and docking studies of the sulfonyl hydrazides and their derivatives

2016 ◽  
Vol 1107 ◽  
pp. 99-108 ◽  
Author(s):  
Shahzad Murtaza ◽  
Saima Shamim ◽  
Naghmana Kousar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Sirajuddin ◽  
...  
Keyword(s):  
Dna Binding ◽  
Docking Studies ◽  
Calf Thymus Dna ◽  
Biological Investigation ◽  
Calf Thymus

A new insight into the interaction of ZnO with calf thymus DNA through surface defects

2018 ◽  
Vol 178 ◽  
pp. 339-347 ◽  
Author(s):  
Sumita Das ◽  
Sabyasachi Chatterjee ◽  
Srikrishna Pramanik ◽  
Parukuttyamma Sujatha Devi ◽  
Gopinatha Suresh Kumar
Keyword(s):  
Surface Defects ◽  
Calf Thymus Dna ◽  
Calf Thymus ◽  
Insight Into

Exploring the mode of binding of the bioflavonoid kaempferol with B and protonated forms of DNA using spectroscopic and molecular docking studies

RSC Advances ◽  
2015 ◽  
Vol 5 (14) ◽  
pp. 10219-10230 ◽  
Author(s):  
Ankur Bikash Pradhan ◽  
Lucy Haque ◽  
Sutanwi Bhuiya ◽  
Suman Das
Keyword(s):  
Molecular Docking ◽  
Protonated Form ◽  
Docking Studies ◽  
Calf Thymus Dna ◽  
Molecular Docking Studies ◽  
Calf Thymus ◽  
Protonated Forms

Mode of binding of kaempferol with B and protonated form of calf thymus DNA.

scholarly journals Comparative Analysis of [Au(en)2]3+ and [Pt(en)2]2+ non Covalent Binding to Calf Thymus DNA

2000 ◽  
Vol 7 (5) ◽  
pp. 253-256 ◽  
Author(s):  
Giordana Marcon ◽  
Tim O'Connell ◽  
Pierluigi Orioli ◽  
Luigi Messori
Keyword(s):  
Comparative Analysis ◽  
Electrostatic Interactions ◽  
Covalent Binding ◽  
Minor Groove ◽  
Sodium Cyanide ◽  
Calf Thymus Dna ◽  
Minor Groove Binder ◽  
Calf Thymus ◽  
Dna Conformations ◽  
A Minor

Reactions of the complexes bisethylendiammine gold(III) and bisethylendiammine platinum(II) with calfthymus DNA were comparatively analysed. Both complexes bind DNA non-covalently most probably on the basis of electrostatic interactions. Binding of either complex at low ratios results into modest modifications of B-type DNA conformations, as detected by CD. Far larger CD alterations are observed at high ratios. The gold(III) chromophore is scarcely perturbed by DNA addition Binding of [Au(en)2]Cl3 to calf thymus DNA is reversed by sodium cyanide. By analogy with the case of [Pt(en)2]Cl2 it is suggested that Auen acts as a minor groove binder.

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