Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier

Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier Publisher Pubmed

Pirhadi S¹ ; Amani A^{2, 3}

Show Affiliations

1. Medicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, Shiraz, Iran
2. Natural Products and Medicinal Plants Research Center, North Khorasan University of Medical Sciences, Bojnurd, Iran
3. Department of Medical Nanotechnology, School of Advanced Technologies in Medicine, Tehran University of Medical Sciences, Tehran, Iran

Source: Journal of Molecular Modeling Published:2020

Abstract

Nanoemulsions are used as drug delivery carriers for different types of systems. Nanoemulsions can enhance solubilization property of poorly water-soluble drugs and increase the drug loading. In this study, we used a nanoemulsion composed of benzalkonium chloride as surfactant, cyclohexane as oil phase, and ethanol as co-surfactant in water, to load small interfering RNA (siRNA) molecule. The system was investigated by three coarse-grained molecular dynamics simulations. The results showed that siRNA attached to benzalkonium chloride on the surface of the nanoemulsion and the oil beads were located in the hydrophobic core of the nanoemulsion, which made its size larger. The ethanol beads distributed throughout the system and did not enter to the hydrophilic shell of the nanoemulsion. The nanoemulsion structure was a compact prolate ellipsoid shape, before and after carrying the siRNA. The average value of radius of gyration of the nanoemulsion was 1.68 nm before and after joining siRNA and the average value of physical radius was 2.17 nm. © 2020, Springer-Verlag GmbH Germany, part of Springer Nature.

Style	Citing Format
MLA	Pirhadi S, Amani A. "Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier." Journal of Molecular Modeling, vol. 26, no. 8, 2020, pp. -.
APA	Pirhadi S, Amani A (2020). Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier. Journal of Molecular Modeling, 26(8), -.
Chicago	Pirhadi S, Amani A. "Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier." Journal of Molecular Modeling 26, no. 8 (2020): -.
Harvard	Pirhadi S, Amani A (2020) 'Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier', Journal of Molecular Modeling, 26(8), pp. -.
Vancouver	Pirhadi S, Amani A. Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier. Journal of Molecular Modeling. 2020;26(8):-.
BibTex	@article{ author = {Pirhadi S and Amani A}, title = {Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier}, journal = {Journal of Molecular Modeling}, volume = {26}, number = {8}, pages = {-}, year = {2020} }
RIS	TY - JOUR AU - Pirhadi S AU - Amani A TI - Molecular Dynamics Simulation of Sirna Loading Into a Nanoemulsion As a Potential Carrier JO - Journal of Molecular Modeling VL - 26 IS - 8 SP - EP - PY - 2020 ER -

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