Molecular dynamics simulation of the transmembrane transport process of reactive species under the synergistic effect of plasma oxidation and an electric field

Cui, Yanxiu; Zhao, Tong; Wang, Huichao; Wang, Xiaolong; Wang, Daohan; Zhang, Yuantao

doi:10.1016/j.freeradbiomed.2023.08.029

Cited by 4 publications

(2 citation statements)

References 55 publications

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“…52 Reactive species, particularly reactive oxygen species (ROS), have been acknowledged as key contributors to cellular damage and eventual cell death in in vitro studies. 53,54 CAP demonstrates a more pronounced induction of immune cell death (ICD) compared to alternative methods. For instance, injecting CAP-treated CT26 colorectal cancer cells into mice resulted in a noticeable inhibition of tumor growth compared to the injection of untreated CT26 cells.…”

Section: Discussionmentioning

confidence: 99%

A Two-Stage Transferred Cold Atmospheric Plasma as a Unique Therapeutic Strategy for Targeting Colon Cancer Stem Cells

Soulat,

mohsenpour,

Roshangar

et al. 2024

Adv Pharm Bull

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The study examines the induction of apoptosis in colon cancer stem cells (CCSCs) within a 3D culture setting, employing an innovative cold atmospheric plasma (CAP) transmission method known as TS-TCAP. TS-TCAP is a partially or fully ionized non-thermal gaseous mixture that comprises photons, charged and neutral particles, and free radicals, which has gained traction in biomedical applications such as cancer therapy. TS-TCAP impacts CCSCs via a continuous, two-step transport process, facilitating the efficient delivery of reactive oxygen and nitrogen species (RONS). The key cellular factors of CCSCs impacted by TS-TCAP treatment, encompassing the secretion and expression levels of IL-6 and IL-8, apoptotic cell count, and expression of BAX, BCL-2, and KI-67 proteins, were evaluated using qrt-ELISA, Annexin V, and qrt-PCR procedures, respectively. The outcomes of CCSCs treatment with TS-TCAP reveal a notable rise in the number of apoptotic cells (p value <0.0001), diminished secretion, and gene expression of IL-6 and IL-8 (p-value < 0.0001), accompanied by favorable alterations in BCL-2 and BAX gene expression (p value <0.0001). Additionally, a notable decrease in KI-67 expression was observed, correlating with a reduction in CCSCs proliferation (p value <0.0001). As well, this study underscores the anti-cancer potential of TS-TCAP, showcasing its efficacy in reducing CCSCs survival rates. However, further pre-clinical and clinical trials are necessary to evaluate CAP's efficacy, safety, and potential synergistic effects with other therapies thoroughly. Overall, TS-TCAP presents a promising alternative for CCSCs treatment, pending further investigation and refinement.

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Section: Discussionmentioning

confidence: 99%

A Two-Stage Transferred Cold Atmospheric Plasma as a Unique Therapeutic Strategy for Targeting Colon Cancer Stem Cells

Soulat,

mohsenpour,

Roshangar

et al. 2024

Adv Pharm Bull

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“…The primary objective of this study is to investigate the influence of nitration on the pore formation time during electroporation, employing MD simulations [31,32]. To achieve this goal, the study will first establish a suitable MD simulation setup and define the parameters necessary for accurately modeling the electroporation process in the presence of nitrated molecules [33,34].…”

Section: Introductionmentioning

confidence: 99%

Unraveling the influence of nitration on pore formation time in electroporation of cell membranes: a molecular dynamics simulation approach

Niyozaliev,

Matyakubov,

Abduvokhidov

et al. 2024

J. Phys. D: Appl. Phys.

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Electroporation, the transient permeabilization of cell membranes induced by electric fields, is an essential technique in biomedicine, facilitating gene delivery, drug transport, and cancer therapy. Despite its wide application, the influence of nitration, a biological modification involving the addition of nitro groups to phospholipids, on electroporation dynamics remains understudied. Here, we employ molecular dynamics simulations to investigate the impact of nitration on pore formation during electroporation. By systematically varying nitration levels and electric field strengths, we explore the nuanced interplay between nitration and electroporation kinetics. Our simulations reveal that increasing nitration levels significantly accelerate pore formation, with notable reductions in pore formation times observed at higher nitration percentages and stronger electric fields. This phenomenon underscores the modulatory role of nitration in altering the dynamics of electroporation. Additionally, our study sheds light on the intricate mechanisms underlying this process, providing essential insights for optimizing electroporation protocols in gene therapy, drug delivery, plasma cancer treatment and related biomedical applications. These findings illuminate the synergistic relationship between nitration and electroporation, paving the way for future advancements in this vital field.

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Calculating transmembrane voltage on the electric pulse-affected cancerous cell membrane: using molecular dynamics and finite element simulations

Mirshahi,

Vahedi,

Yazdani

et al. 2024

J Mol Model

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Molecular dynamics simulation of the transmembrane transport process of reactive species under the synergistic effect of plasma oxidation and an electric field

Cited by 4 publications

References 55 publications

A Two-Stage Transferred Cold Atmospheric Plasma as a Unique Therapeutic Strategy for Targeting Colon Cancer Stem Cells

A Two-Stage Transferred Cold Atmospheric Plasma as a Unique Therapeutic Strategy for Targeting Colon Cancer Stem Cells

Unraveling the influence of nitration on pore formation time in electroporation of cell membranes: a molecular dynamics simulation approach

Calculating transmembrane voltage on the electric pulse-affected cancerous cell membrane: using molecular dynamics and finite element simulations

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