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Pharmaceuticals
Volume 15
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10.3390/ph15010034
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Article

Ion-Pair Compounds of Strychnine for Enhancing Skin Permeability: Influencing the Transdermal Processes In Vitro Based on Molecular Simulation

by
Lili He
1,†,
Di Xiong
2,†,
Lan Ma
1,
Yan Liang
1,
Teng Zhang
1,
Zhiming Wu
2,
Huaibo Tang
1,* and
Xuewen Wu
2,*
1
Department of Pharmacy, School of Chemistry, Xiangtan University, Xiangtan 411105, China
2
Department of Pharmaceutical Engineering, School of Chemical Engineering, Xiangtan University, Xiangtan 411105, China
*
Authors to whom correspondence should be addressed.
†
These authors contributed equally to this work.
Pharmaceuticals 2022, 15(1), 34; https://doi.org/10.3390/ph15010034
Submission received: 14 October 2021 / Revised: 8 December 2021 / Accepted: 9 December 2021 / Published: 27 December 2021
(This article belongs to the Section Natural Products)
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Abstract

This research aimed to explore how Strychnine (Str) ion-pair compounds affect the in vitro transdermal process. In order to prevent the influence of different functional groups on skin permeation, seven homologous fatty acids were selected to form ion-pair compounds with Str. The in vitro permeation fluxes of the Str ion-pair compounds were 2.2 to 8.4 times that of Str, and Str-C10 had the highest permeation fluxes of 42.79 ± 19.86 µg/cm2/h. The hydrogen bond of the Str ion-pair compounds was also confirmed by Fourier Transform Infrared (FTIR) Spectroscopy, Nuclear Magnetic Resonance (NMR) Spectroscopy and molecular simulation. In the process of molecular simulation, the intercellular lipid and the viable skin were represented by ceramide, cholesterol and free fatty acid of equal molar ratios and water, respectively. It was found by the binding energy curve that the Str ion-pair compounds had better compatibility with the intercellular lipid and water than Str, which indicated that the affinity of Str ion-pair compounds and skin was better than that of Str and skin. Therefore, it was concluded that Str ion-pair compounds can be distributed from the vehicle to the intercellular lipid and viable skin more easily than Str. These findings broadened our knowledge about how Str ion-pair compounds affect the transdermal process.
Keywords: strychnine; ion-pair; transdermal; molecular simulation strychnine; ion-pair; transdermal; molecular simulation

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MDPI and ACS Style

He, L.; Xiong, D.; Ma, L.; Liang, Y.; Zhang, T.; Wu, Z.; Tang, H.; Wu, X. Ion-Pair Compounds of Strychnine for Enhancing Skin Permeability: Influencing the Transdermal Processes In Vitro Based on Molecular Simulation. Pharmaceuticals 2022, 15, 34. https://doi.org/10.3390/ph15010034

AMA Style

He L, Xiong D, Ma L, Liang Y, Zhang T, Wu Z, Tang H, Wu X. Ion-Pair Compounds of Strychnine for Enhancing Skin Permeability: Influencing the Transdermal Processes In Vitro Based on Molecular Simulation. Pharmaceuticals. 2022; 15(1):34. https://doi.org/10.3390/ph15010034

Chicago/Turabian Style

He, Lili, Di Xiong, Lan Ma, Yan Liang, Teng Zhang, Zhiming Wu, Huaibo Tang, and Xuewen Wu. 2022. "Ion-Pair Compounds of Strychnine for Enhancing Skin Permeability: Influencing the Transdermal Processes In Vitro Based on Molecular Simulation" Pharmaceuticals 15, no. 1: 34. https://doi.org/10.3390/ph15010034

APA Style

He, L., Xiong, D., Ma, L., Liang, Y., Zhang, T., Wu, Z., Tang, H., & Wu, X. (2022). Ion-Pair Compounds of Strychnine for Enhancing Skin Permeability: Influencing the Transdermal Processes In Vitro Based on Molecular Simulation. Pharmaceuticals, 15(1), 34. https://doi.org/10.3390/ph15010034

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