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
Huaxing Wu 1, Beili Li 1, Xue Wang 1, Mingyuan Jin 1 and Guonian Wang 2,* email
1 Department of Endoscopy, the Third Affiliated Hospital, Harbin Medical University, Harbin 150040, China 2 Department of Anesthesiology, the Third Affiliated Hospital, Harbin Medical University, Harbin 150081, China
Received: 13 May 2011; in revised form: 25 July 2011 / Accepted: 28 July 2011 / Published: 3 August 2011
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 ?M. Patchouli alcohol could inhibit influenza virus with an IC50 of 4.03 ? 0.23 ?M. 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
