The Application of Coarse-Grained Molecular Dynamics to the Evaluation of Liposome Physical Stability
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Research Article Theme: Lipid-Based Drug Delivery Strategies for Oral Drug Delivery Guest Editors: Kishor M. Wasan and Sanyog Jain
The Application of Coarse-Grained Molecular Dynamics to the Evaluation of Liposome Physical Stability Liping Chen,1 Zhimin Wu,1,2 Xiaowen Wu,1 Yuyao Liao,1 Xingxing Dai,1,2 and Xinyuan Shi1,2,3
Received 13 November 2019; accepted 9 April 2020 Abstract. Physical stability is one of critical characteristics of liposome, especially to its clinical application. Vesicle fusion was one of the common physical stability phenomena that occurred during the long storage period. Because vesicle fusion could be easily checked by the change of vesicle size, it was widely applied in the evaluation of liposome physical stability. However, since the method requires the liposome to be placed under certain conditions for long-term observation, a liposome physical stability test usually takes several weeks, which greatly hinders the research efficiency. In this study, to speed up the research efficiency, coarse-grained molecular dynamics was first applied in the study of liposome physical stability. By analyzing the microprocess of vesicle fusion, two parameters including diffusion constant and the total time of the vesicle morphology transition process were employed to study the liposome physical stability. Then, in order to verify the applicability of two parameters, the physical stability of elastic liposomes and conventional liposomes was compared at 3 different temperatures. It was found that the fusion probability and speed of elastic liposomes were higher than those of conventional liposomes. Thus, elastic liposomes showed a worse physical stability compared with that of conventional liposomes, which was consistent with former research. Through this research, a new efficient method based on coarse-grained molecular dynamics was proposed for the study of liposome physical stability. KEY WORDS: liposome; physical stability; coarse-grained molecular dynamics; vesicle fusion.
INTRODUCTION The liposome, a closed phospholipid bilayer vesicular system, has received considerable attention as a pharmaceutical carrier of great potential over the past 30 years (1, 2). The ability of liposomes to encapsulate both hydrophilic and hydrophobic drugs, coupled with their biocompatibility and biodegradability, makes liposome attractive vehicles in the field of drug delivery (3). Physical stability is one of critical characteristics of liposome. It depends on vesicle size and other factors such as surface potential, pH and ionic strength of solution, osmotic pressure difference across the membrane, and fluidity of membrane (4–6). Possible physical stability problems
Guest Editors: Kishor M. Wasan and Sanyog Jain 1
School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing, 102488, China. 2 Key Laboratory for Production Process Control and Quality Evaluation of Traditional Chinese Medicine, Beijing Municipal Science & Technology Commission, Beijing, 100029, China. 3 To whom correspondence should b
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