Next Article in Journal
Previous Article in Journal
Molecules 2011, 16(2), 1044-1054; doi:10.3390/molecules16021044
Article

Comparative Anti-Infectious Bronchitis Virus (IBV) Activity of (-)-Pinene: Effect on Nucleocapsid (N) Protein

1,2,†
, 1,2,†
, 1,2,*  and 1,2,*
Received: 29 November 2010; in revised form: 23 December 2010 / Accepted: 17 January 2011 / Published: 25 January 2011
Download PDF [295 KB, uploaded 18 June 2014]
Abstract: In the present study, anti-IBV (infectious bronchitis virus) activities of (-)-pinenes were studied by MTT assay, as well as docking and molecular dynamic (MD) simulations. The CC50 values of (-)-α-pinene and (-)-β-pinene were above 10 mM. And the maximum noncytotoxic concentrations (TD0) of (-)-α-pinene and (-)-β-pinene were determined as 7.88 ± 0.06 and 6.09 ± 0.31 mM, respectively. The two compounds were found to inhibit IBV with an IC50 of 0.98 ± 0.25 and 1.32 ± 0.11 mM. The MTT assay showed that the inhibitions of (-)-pinenes against IBV appear to occur moderately before entering the cell but are much stronger occur after penetration of the virus into the cell. Molecular simulations indicated that (-)-α-pinene and (-)-β-pinene specifically interact with the active site which is located at the N terminus of phosphorylated nucleocapsid (N) protein, with the former being more potent than the latter. The binding energies of them are −36.83 and −35.59 kcal mol−1, respectively. Results presented here may suggest that (-)-α-pinene and (-)-β-pinene possess anti-IBV properties, and therefore are a potential source of anti-IBV ingredients for the pharmaceutical industry.
Keywords: (-)-pinene; anti-IBV activity; MTT; docking; active site (-)-pinene; anti-IBV activity; MTT; docking; active site
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

Yang, Z.; Wu, N.; Zu, Y.; Fu, Y. Comparative Anti-Infectious Bronchitis Virus (IBV) Activity of (-)-Pinene: Effect on Nucleocapsid (N) Protein. Molecules 2011, 16, 1044-1054.

AMA Style

Yang Z, Wu N, Zu Y, Fu Y. Comparative Anti-Infectious Bronchitis Virus (IBV) Activity of (-)-Pinene: Effect on Nucleocapsid (N) Protein. Molecules. 2011; 16(2):1044-1054.

Chicago/Turabian Style

Yang, Zhiwei; Wu, Nan; Zu, Yuangang; Fu, Yujie. 2011. "Comparative Anti-Infectious Bronchitis Virus (IBV) Activity of (-)-Pinene: Effect on Nucleocapsid (N) Protein." Molecules 16, no. 2: 1044-1054.



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