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Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations

Plasma medicine, or the biomedical application of cold atmospheric plasma (CAP), is an expanding field within plasma research. CAP has demonstrated remarkable versatility in diverse biological applications, including cancer treatment, wound healing, microorganism inactivation, and skin disease thera...

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Autores principales: Ghasemitarei, Maryam, Ghorbi, Tayebeh, Yusupov, Maksudbek, Zhang, Yuantao, Zhao, Tong, Shali, Parisa, Bogaerts, Annemie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10527456/
https://www.ncbi.nlm.nih.gov/pubmed/37759771
http://dx.doi.org/10.3390/biom13091371
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author Ghasemitarei, Maryam
Ghorbi, Tayebeh
Yusupov, Maksudbek
Zhang, Yuantao
Zhao, Tong
Shali, Parisa
Bogaerts, Annemie
author_facet Ghasemitarei, Maryam
Ghorbi, Tayebeh
Yusupov, Maksudbek
Zhang, Yuantao
Zhao, Tong
Shali, Parisa
Bogaerts, Annemie
author_sort Ghasemitarei, Maryam
collection PubMed
description Plasma medicine, or the biomedical application of cold atmospheric plasma (CAP), is an expanding field within plasma research. CAP has demonstrated remarkable versatility in diverse biological applications, including cancer treatment, wound healing, microorganism inactivation, and skin disease therapy. However, the precise mechanisms underlying the effects of CAP remain incompletely understood. The therapeutic effects of CAP are largely attributed to the generation of reactive oxygen and nitrogen species (RONS), which play a crucial role in the biological responses induced by CAP. Specifically, RONS produced during CAP treatment have the ability to chemically modify cell membranes and membrane proteins, causing nitro-oxidative stress, thereby leading to changes in membrane permeability and disruption of cellular processes. To gain atomic-level insights into these interactions, non-reactive molecular dynamics (MD) simulations have emerged as a valuable tool. These simulations facilitate the examination of larger-scale system dynamics, including protein-protein and protein-membrane interactions. In this comprehensive review, we focus on the applications of non-reactive MD simulations in studying the effects of CAP on cellular components and interactions at the atomic level, providing a detailed overview of the potential of CAP in medicine. We also review the results of other MD studies that are not related to plasma medicine but explore the effects of nitro-oxidative stress on cellular components and are therefore important for a broader understanding of the underlying processes.
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spelling pubmed-105274562023-09-28 Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations Ghasemitarei, Maryam Ghorbi, Tayebeh Yusupov, Maksudbek Zhang, Yuantao Zhao, Tong Shali, Parisa Bogaerts, Annemie Biomolecules Review Plasma medicine, or the biomedical application of cold atmospheric plasma (CAP), is an expanding field within plasma research. CAP has demonstrated remarkable versatility in diverse biological applications, including cancer treatment, wound healing, microorganism inactivation, and skin disease therapy. However, the precise mechanisms underlying the effects of CAP remain incompletely understood. The therapeutic effects of CAP are largely attributed to the generation of reactive oxygen and nitrogen species (RONS), which play a crucial role in the biological responses induced by CAP. Specifically, RONS produced during CAP treatment have the ability to chemically modify cell membranes and membrane proteins, causing nitro-oxidative stress, thereby leading to changes in membrane permeability and disruption of cellular processes. To gain atomic-level insights into these interactions, non-reactive molecular dynamics (MD) simulations have emerged as a valuable tool. These simulations facilitate the examination of larger-scale system dynamics, including protein-protein and protein-membrane interactions. In this comprehensive review, we focus on the applications of non-reactive MD simulations in studying the effects of CAP on cellular components and interactions at the atomic level, providing a detailed overview of the potential of CAP in medicine. We also review the results of other MD studies that are not related to plasma medicine but explore the effects of nitro-oxidative stress on cellular components and are therefore important for a broader understanding of the underlying processes. MDPI 2023-09-11 /pmc/articles/PMC10527456/ /pubmed/37759771 http://dx.doi.org/10.3390/biom13091371 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Ghasemitarei, Maryam
Ghorbi, Tayebeh
Yusupov, Maksudbek
Zhang, Yuantao
Zhao, Tong
Shali, Parisa
Bogaerts, Annemie
Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations
title Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations
title_full Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations
title_fullStr Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations
title_full_unstemmed Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations
title_short Effects of Nitro-Oxidative Stress on Biomolecules: Part 1—Non-Reactive Molecular Dynamics Simulations
title_sort effects of nitro-oxidative stress on biomolecules: part 1—non-reactive molecular dynamics simulations
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10527456/
https://www.ncbi.nlm.nih.gov/pubmed/37759771
http://dx.doi.org/10.3390/biom13091371
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