کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
691600 1460448 2011 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Key features for designing M2 proton channel anti swine flu inhibitors
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی تکنولوژی و شیمی فرآیندی
پیش نمایش صفحه اول مقاله
Key features for designing M2 proton channel anti swine flu inhibitors
چکیده انگلیسی

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.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of the Taiwan Institute of Chemical Engineers - Volume 42, Issue 5, September 2011, Pages 701–708
نویسندگان
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