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

Abstract 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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