Tuning the transdermal transport by application of external continuous electric field: a coarse-grained molecular dynamics study

Machado, Neila; Callegaro, Clarissa; Christoffolete, Marcelo A.; Martinho, H.

doi:10.1039/d1cp00354b

Cited by 4 publications

(4 citation statements)

References 70 publications

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“…As mentioned before, the effective TM potential across the bilayer after applying an nsPEF using a continuous

[ 140 ] depends on the thickness of the bilayer (d). The thickness of the bilayer was obtained by measuring the distance between the center of mass of the phosphate of each POPC molecule in one layer with respect to the complementary one; see Figure 3 .…”

Section: Simulation Resultsmentioning

confidence: 99%

Exploring the Conformational Changes Induced by Nanosecond Pulsed Electric Fields on the Voltage Sensing Domain of a Ca2+ Channel

et al. 2021

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Nanosecond Pulsed Electric Field (nsPEF or Nano Pulsed Stimulation, NPS) is a technology that delivers a series of pulses of high-voltage electric fields during a short period of time, in the order of nanoseconds. The main consequence of nsPEF upon cells is the formation of nanopores, which is followed by the gating of ionic channels. Literature is conclusive in that the physiological mechanisms governing ion channel gating occur in the order of milliseconds. Hence, understanding how these channels can be activated by a nsPEF would be an important step in order to conciliate fundamental biophysical knowledge with improved nsPEF applications. To get insights on both the kinetics and thermodynamics of ion channel gating induced by nsPEF, in this work, we simulated the Voltage Sensing Domain (VSD) of a voltage-gated Ca2+ channel, inserted in phospholipidic membranes with different concentrations of cholesterol. We studied the conformational changes of the VSD under a nsPEF mimicked by the application of a continuous electric field lasting 50 ns with different intensities as an approach to reveal novel mechanisms leading to ion channel gating in such short timescales. Our results show that using a membrane with high cholesterol content, under an nsPEF of 50 ns and E→ = 0.2 V/nm, the VSD undergoes major conformational changes. As a whole, our work supports the notion that membrane composition may act as an allosteric regulator, specifically cholesterol content, which is fundamental for the response of the VSD to an external electric field. Moreover, changes on the VSD structure suggest that the gating of voltage-gated Ca2+ channels by a nsPEF may be due to major conformational changes elicited in response to the external electric field. Finally, the VSD/cholesterol-bilayer under an nsPEF of 50 ns and E→ = 0.2 V/nm elicits a pore formation across the VSD suggesting a new non-reported effect of nsPEF into cells, which can be called a “protein mediated electroporation”.

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“…As mentioned before, the effective TM potential across the bilayer after applying an nsPEF using a continuous

Section: Simulation Resultsmentioning

confidence: 99%

Exploring the Conformational Changes Induced by Nanosecond Pulsed Electric Fields on the Voltage Sensing Domain of a Ca2+ Channel

et al. 2021

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“…In particular we have focused on temperature and pressure changes but also on the usage of electrical pulses. MD simulations have shown to be suitable to study novel food processing technologies such as high pressure and electric fields in combination with antimicrobial peptides [51,[133][134][135][136][137].…”

Section: A Potential Food Preservativementioning

confidence: 99%

The potential of antifungal peptide Sesquin as natural food preservative

Ramos‐Martín¹,

Herrera‐León²,

Antonietti³

et al. 2022

Biochimie

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“…Common physical methods include infrared light, electric field, or ultrasonic irradiation. Pre-exposure of the skin to infrared light, electric fields, or ultrasound, followed by application of the MNs on the skin, or a synchronous treatment regimen, can effectively enhance the permeability of the drug [13][14][15][16][17][18]. However, infrared light and ultrasonic irradiation require external equipment and professionals to assist drug administration, which are complicated to operate, and there are a lack of quantitative studies between relevant parameters and penetration effects.…”

Section: Introductionmentioning

confidence: 99%

State of the Art in Constructing Gas-Propelled Dissolving Microneedles for Significantly Enhanced Drug-Loading and Delivery Efficiency

et al. 2023

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Dissolving microneedles (MNs) have emerged as a promising transdermal delivery system, as they integrate the advantages of both injection and transdermal preparations. However, the low drug-loading and limited transdermal delivery efficiency of MNs severely hinder their clinical applications. Microparticle-embedded gas-propelled MNs were developed to simultaneously improve drug-loading and transdermal delivery efficiency. The effects of mold production technologies, micromolding technologies, and formulation parameters on the quality of gas-propelled MNs were systematically studied. Three-dimensional printing technology was found to prepare male mold with the highest accuracy, while female mold made from the silica gel with smaller Shore hardness could obtain a higher demolding needle percentage (DNP). Vacuum micromolding with optimized pressure was superior to centrifugation micromolding in preparing gas-propelled MNs with significantly improved DNP and morphology. Moreover, the gas-propelled MNs could achieve the highest DNP and intact needles by selecting polyvinylpyrrolidone K30 (PVP K30), polyvinyl alcohol (PVA), and potassium carbonate (K2CO3): citric acid (CA) = 0.15:0.15 (w/w) as the needle skeleton material, drug particle carrier, and pneumatic initiators, respectively. Moreover, the gas-propelled MNs showed a 1.35-fold drug loading of the free drug-loaded MNs and 1.19-fold cumulative transdermal permeability of the passive MNs. Therefore, this study provides detailed guidance for preparing MNs with high productivity, drug loading, and delivery efficiency.

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Tuning the transdermal transport by application of external continuous electric field: a coarse-grained molecular dynamics study

Abstract: The control of skin permeability to specific substances (e.g., drugs, vitamins, nutrients) have been prosecuted for a long time. Electroporation and iontophoresis are techniques that enable the transport of substances...

Cited by 4 publications

References 70 publications

Exploring the Conformational Changes Induced by Nanosecond Pulsed Electric Fields on the Voltage Sensing Domain of a Ca2+ Channel

Exploring the Conformational Changes Induced by Nanosecond Pulsed Electric Fields on the Voltage Sensing Domain of a Ca2+ Channel

The potential of antifungal peptide Sesquin as natural food preservative

State of the Art in Constructing Gas-Propelled Dissolving Microneedles for Significantly Enhanced Drug-Loading and Delivery Efficiency

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