Journal
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
Volume 42, Issue 5, Pages 701-708Publisher
ELSEVIER
DOI: 10.1016/j.jtice.2011.01.006
Keywords
H1N1; M2 proton channel; Docking; Molecular dynamics; Traditional Chinese medicine (TCM)
Categories
Funding
- National Science Council of Taiwan [NSC 99-2221-E-039-013]
- China Medical University [CMU98-TCM, CMU99-S-02, CMU99-TCM]
- Asia University [CMU98-ASIA-09]
- Taiwan Department of Health Clinical Trial and Research Center of Excellence [DOH100-TD-B-111-004]
- Taiwan Department of Health Cancer Research Center of Excellence [DOH100-TD-C-111-005]
Ask authors/readers for more resources
M2 is a crucial influenza virus proton channel that facilitates viral infection. One of the common treatments for influenza is to inhibit M2 function. However, these commercially available M2 inhibitors became less effective against new drug-resistance viral strains, such as the H1N1 influenza virus that caused 2009 flu pandemic. Therefore, it became urgent to develop more effective drugs against the new influenza strains. This study focused on identifying potential M2-inhibiting compounds from traditional Chinese medicine (TCM) using a freely accessible TCM database (http://tcm.cmu.edu.tw/) (Chen, 2011). The compounds were analyzed by computer-simulated protein ligand interactions and then monitored through molecular dynamics (MD) simulation. The MD simulation has identified and conformationally validated five potential M2 inhibitors. Further bio-molecular experiments would be required to validate their bioactivities. In addition, the MD simulation technique provides insights to next generation of drug design. (C) 2011 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available