Drug design for Influenza A virus subtype H1N1

ASIAIR > College of Computer Science > Department of Biomedical informatics > Journal Article > Item 310904400/8640

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Title:	Drug design for Influenza A virus subtype H1N1
Authors:	Chen, Chien-Yu;Huang, Hung-Jin;Tsai, Fuu-Jen;Chen, Calvin Yu-Chian
Contributors:	Department of Bioinformatics
Keywords:	Docking;Simulators;Targets;Clinical investigation;Drug Design;Drug resistance;Haemagglutinin;High reliability;Homology modeling;Homology models;Influenza A virus;Me-xico;Modeling structures;Molecular simulations;Neuraminidase;Oseltamivir;Simulation structure
Date:	2010-01
Issue Date:	2010-04-07 13:21:10 (UTC+0)
Publisher:	Asia University
Abstract:	An outbreak of influenza A virus subtype H1N1, also known as swine flu, in Mexico was occurred in April 2009. To design drugs for treating this epidemic is urgency. In this study, we employed the new sequences (2009) to build the N1 simulation structure by homology modeling, which has been checked for high reliability by Verify Score and Ramachandran plot. The latest H1 homology model was employed from Chen's report. 365,602 compounds from NCI database have been screened by docking study of H1 and N1, respectively. And then, nine candidates were screened and suggested as potent dual target candidates from the docking studies. In our investigation, drug resistance was found by our molecular simulation in the new N1 modeling structure to oseltamivir. However, the mechanism is still not clear; further clinical investigations are urgently required. © 2009 Taiwan Institute of Chemical Engineers.
Relation:	Journal of the Taiwan Institute of Chemical Engineers 41(1) :8-15
Appears in Collections:	[Department of Biomedical informatics ] Journal Article

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