International Journal of Molecular Sciences | |
Interactions of Borneol with DPPC Phospholipid Membranes: A Molecular Dynamics Simulation Study | |
Qianqian Yin2  Xinyuan Shi3  Haiou Ding1  Xingxing Dai3  Guang Wan2  Yanjiang Qiao3  | |
[1] Civil Aviation General Hospital, No. 1 of Chaowai Takai A, Beijing 100123, China; E-Mail:;School of Traditional Chinese Medicine, Capital Medical University, No. 10 of Xitoutiao Outside Youanmen, Fengtai District, Beijing 100069, China; E-Mails:;Key Laboratory of TCM-Information Engineer, Beijing University of Chinese Medicine, No. 6 of Zhonghuan South Road, Wangjing, Chaoyang District, Beijing 100102, China; E-Mail: | |
关键词: borneol; traditional Chinese medicine (TCM); DPPC (1; 2-dipalmitoylsn-glycero-3-phosphatidylcholine); molecular dynamics simulation; Martini; | |
DOI : 10.3390/ijms151120365 | |
来源: mdpi | |
【 摘 要 】
Borneol, known as a “guide” drug in traditional Chinese medicine, is widely used as a natural penetration enhancer in modern clinical applications. Despite a large number of experimental studies on borneol’s penetration enhancing effect, the molecular basis of its action on bio-membranes is still unclear. We carried out a series of coarse-grained molecular dynamics simulations with the borneol concentration ranging from 3.31% to 54.59% (
【 授权许可】
CC BY
© 2014 by the authors; licensee MDPI, Basel, Switzerland.
【 预 览 】
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