Structural specificity of groove binding mechanism between imidazolium-based ionic liquids and DNA revealed by synchrotron-UV Resonance Raman spectroscopy and molecular dynamics simulations

Fadaei, Fatemeh; Tortora, Mariagrazia; Gessini, Alessandro; Masciovecchio, C.; Catalini, Sara; Vigna, Jacopo; Mancini, Ines; Vacek, Jan; Rooney, David; Minofar, Babak; Rossi, Barbara

doi:10.1016/j.molliq.2021.118350

Cited by 9 publications

(3 citation statements)

References 83 publications

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“…With regard to the impact of ILs on nucleic acids, according to our recent analysis, most of the published works concern the possible usage of ILs as storage media and delivery vehicles for various types of nucleic acid molecules . In the case of short DNA/RNA molecules, ILs tend to stabilize their structures due to strong interactions between the IL cations and nucleobases and/or phosphate groups of nucleic acids. − The same can be said about large nucleic acid molecules: ILs generally cause long-term structural stabilization and compaction. − In particular, imidazolium and cholinium cations were shown to penetrate the solvation shell of DNA double helices and to establish van der Waals, electrostatic and hydrophobic interactions, as well as H-bonds, with the minor groove . Thus, we leave this class of biological molecules beyond the scope of the current review and advise readers to refer to the available reviews on the topic. ,,, …”

Section: Mechanisms Of Biological Activity Of Ionic Liquids: State Of...mentioning

confidence: 99%

Mechanisms of Biological Effects of Ionic Liquids: From Single Cells to Multicellular Organisms

Egorova,

Kibardin,

Posvyatenko

et al. 2024

Chem. Rev.

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The review presents a detailed discussion of the evolving field studying interactions between ionic liquids (ILs) and biological systems. Originating from molten salt electrolytes to present multiapplication substances, ILs have found usage across various fields due to their exceptional physicochemical properties, including excellent tunability. However, their interactions with biological systems and potential influence on living organisms remain largely unexplored. This review examines the cytotoxic effects of ILs on cell cultures, biomolecules, and vertebrate and invertebrate organisms. Our understanding of IL toxicity, while growing in recent years, is yet nascent. The established findings include correlations between harmful effects of ILs and their ability to disturb cellular membranes, their potential to trigger oxidative stress in cells, and their ability to cause cell death via apoptosis. Future research directions proposed in the review include studying the distribution of various ILs within cellular compartments and organelles, investigating metabolic transformations of ILs in cells and organisms, detailed analysis of IL effects on proteins involved in oxidative stress and apoptosis, correlation studies between IL doses, exposure times and resulting adverse effects, and examination of effects of subtoxic concentrations of ILs on various biological objects. This review aims to serve as a critical analysis of the current body of knowledge on IL-related toxicity mechanisms. Furthermore, it can guide researchers toward the design of less toxic ILs and the informed use of ILs in drug development and medicine.

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Section: Mechanisms Of Biological Activity Of Ionic Liquids: State Of...mentioning

confidence: 99%

Mechanisms of Biological Effects of Ionic Liquids: From Single Cells to Multicellular Organisms

Egorova,

Kibardin,

Posvyatenko

et al. 2024

Chem. Rev.

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“…In this section, we summarize the effects of ILs on cell membranes, organelles, nucleic acids and proteins. 106,[139][140][141][142] Simultaneously, a detailed analysis will be conducted on the relationship between the structure of ILs and their interaction with organisms.…”

Section: Therapeutic Mechanismsmentioning

confidence: 99%

Ionic liquids revolutionizing biomedicine: recent advances and emerging opportunities

Hu,

Xing,

Yue

et al. 2023

Chem. Soc. Rev.

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“…Most of the data pertains to traditional ILs, refs. [46][47][48] long DNA double strands (ds), and IL/water mixtures [28,49,50].…”

Section: Introductionmentioning

confidence: 99%

Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields

Russo,

Bodo

2024

Molecules

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One can foresee a very near future where ionic liquids will be used in applications such as biomolecular chemistry or medicine. The molecular details of their interaction with biological matter, however, are difficult to investigate due to the vast number of combinations of both the biological systems and the variety of possible liquids. Here, we provide a computational study aimed at understanding the interaction of a special class of biocompatible ionic liquids (choline-aminoate) with two model biological systems: an oligopeptide and an oligonucleotide. We employed molecular dynamics with a polarizable force field. Our results are in line with previous experimental and computational evidence on analogous systems and show how these biocompatible ionic liquids, in their pure form, act as gentle solvents for protein structures while simultaneously destabilizing DNA structure.

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Structural specificity of groove binding mechanism between imidazolium-based ionic liquids and DNA revealed by synchrotron-UV Resonance Raman spectroscopy and molecular dynamics simulations

Cited by 9 publications

References 83 publications

Mechanisms of Biological Effects of Ionic Liquids: From Single Cells to Multicellular Organisms

Mechanisms of Biological Effects of Ionic Liquids: From Single Cells to Multicellular Organisms

Ionic liquids revolutionizing biomedicine: recent advances and emerging opportunities

Solvation of Model Biomolecules in Choline-Aminoate Ionic Liquids: A Computational Simulation Using Polarizable Force Fields

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