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    题名: Drug design for Influenza A virus subtype H1N1
    作者: Chen, Chien-Yu;Huang, Hung-Jin;Tsai, Fuu-Jen;Chen, Calvin Yu-Chian
    贡献者: Department of Bioinformatics
    关键词: 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
    日期: 2010-01
    上传时间: 2010-04-07 21:21:10 (UTC+8)
    出版者: Asia University
    摘要: 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.
    關聯: Journal of the Taiwan Institute of Chemical Engineers 41(1) :8-15
    显示于类别:[生物資訊與醫學工程學系 ] 期刊論文


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