Molecules 2011, 16(8), 6489-6501; doi:10.3390/molecules16086489
Article

Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus

1, 1, 1, 1 and 2,*
Received: 13 May 2011; in revised form: 25 July 2011 / Accepted: 28 July 2011 / Published: 3 August 2011
Download PDF [535 KB, uploaded 18 June 2014]
Abstract: In the present study, the anti-influenza A (H2N2) virus activity of patchouli alcohol was studied in vitro, in vivo and in silico. The CC50 of patchouli alcohol was above 20 µM. Patchouli alcohol could inhibit influenza virus with an IC50 of 4.03 ± 0.23 µM. MTT assay showed that the inhibition by patchouli alcohol appears strongly after penetration of the virus into the cell. In the influenza mouse model, patchouli alcohol showed obvious protection against the viral infection at a dose of 5 mg/kg/day. Flexible docking and molecular dynamic simulations indicated that patchouli alcohol was bound to the neuraminidase protein of influenza virus, with an interaction energy of –40.38 kcal mol–1. The invariant key active-site residues Asp151, Arg152, Glu119, Glu276 and Tyr406 played important roles during the binding process. Based on spatial and energetic criteria, patchouli alcohol interfered with the NA functions. Results presented here suggest that patchouli alcohol possesses anti-influenza A (H2N2) virus properties, and therefore is a potential source of anti-influenza agents for the pharmaceutical industry.
Keywords: patchouli alcohol; docking; neuraminidase; MTT; influenza virus; mice
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.

Export to BibTeX |
EndNote


MDPI and ACS Style

Wu, H.; Li, B.; Wang, X.; Jin, M.; Wang, G. Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus. Molecules 2011, 16, 6489-6501.

AMA Style

Wu H, Li B, Wang X, Jin M, Wang G. Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus. Molecules. 2011; 16(8):6489-6501.

Chicago/Turabian Style

Wu, Huaxing; Li, Beili; Wang, Xue; Jin, Mingyuan; Wang, Guonian. 2011. "Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus." Molecules 16, no. 8: 6489-6501.


Molecules EISSN 1420-3049 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert