Next Article in Journal
Pine Bark and Green Tea Concentrated Extracts: Antioxidant Activity and Comprehensive Characterization of Bioactive Compounds by HPLC–ESI-QTOF-MS
Next Article in Special Issue
Lipidome of Atherosclerotic Plaques from Hypercholesterolemic Rabbits
Previous Article in Journal
Circulating microRNA-19a as a Potential Novel Biomarker for Diagnosis of Acute Myocardial Infarction
Previous Article in Special Issue
Nuclear Lipid Microdomain as Resting Place of Dexamethasone to Impair Cell Proliferation
Article Menu
Issue 11 (November) cover image

Export Article

Open AccessArticle
Int. J. Mol. Sci. 2014, 15(11), 20365-20381; doi:10.3390/ijms151120365

Interactions of Borneol with DPPC Phospholipid Membranes: A Molecular Dynamics Simulation Study

1
School of Traditional Chinese Medicine, Capital Medical University, No. 10 of Xitoutiao Outside Youanmen, Fengtai District, Beijing 100069, China
2
Key Laboratory of TCM-Information Engineer, Beijing University of Chinese Medicine, No. 6 of Zhonghuan South Road, Wangjing, Chaoyang District, Beijing 100102, China
3
Civil Aviation General Hospital, No. 1 of Chaowai Takai A, Beijing 100123, China
These authors contributed equally to this work.
*
Authors to whom correspondence should be addressed.
Received: 15 August 2014 / Revised: 17 October 2014 / Accepted: 22 October 2014 / Published: 6 November 2014
(This article belongs to the Special Issue Bioactive Lipids and Lipidomics)
View Full-Text   |   Download PDF [1707 KB, uploaded 6 November 2014]   |  

Abstract

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% (v/v, lipid-free basis) to study the interactions of borneol with aDPPC(1,2-dipalmitoylsn-glycero-3-phosphatidylcholine) bilayer membrane, and the temperature effects were also considered. At concentrations below 21.89%, borneol’s presence only caused DPPC bilayer thinning and an increase in fluidity; A rise in temperature could promote the diffusing progress of borneol. When the concentration was 21.89% or above, inverted micelle-like structures were formed within the bilayer interior, which led to increased bilayer thickness, and an optimum temperature was found for the interaction of borneol with the DPPC bilayer membrane. These findings revealed that the choice of optimal concentration and temperature is critical for a given application in which borneol is used as a penetration enhancer. Our results not only clarify some molecular basis for borneol’s penetration enhancing effects, but also provide some guidance for the development and applications of new preparations containing borneol. View Full-Text
Keywords: borneol; traditional Chinese medicine (TCM); DPPC (1,2-dipalmitoylsn-glycero-3-phosphatidylcholine); molecular dynamics simulation; Martini borneol; traditional Chinese medicine (TCM); DPPC (1,2-dipalmitoylsn-glycero-3-phosphatidylcholine); molecular dynamics simulation; Martini
Figures

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Supplementary material

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Yin, Q.; Shi, X.; Ding, H.; Dai, X.; Wan, G.; Qiao, Y. Interactions of Borneol with DPPC Phospholipid Membranes: A Molecular Dynamics Simulation Study. Int. J. Mol. Sci. 2014, 15, 20365-20381.

Show more citation formats Show less citations formats

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top