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    题名: Drug design for the influenza A virus subtype H1N1
    作者: Chen, Chien-Yu;Bau, Da-Tian;Tsai, Ming-Hsui;Hsu, Yuan-Man;Ho, Tin-Yun;Huang, Hung-Jin;Chang, Yea-Huey;Tsai, Fuu-Jen;Tsai, Chang-Hai;Chen, Calvin Yu-Chian
    贡献者: Department of Bioinformatics
    关键词: Biomedical engineering;Computer crime;Docking;Hydrogen bonds;Molecular graphics;Viruses;Candidate drugs;Drug Design;Hydrogen bond acceptors;Hydrogen bond donors;Influenza A virus;Me-xico;Neuraminidase;Pharmacophores;Potent inhibitor;QSAR model;Scientific applications
    日期: 2009
    上传时间: 2010-04-08 20:05:59 (UTC+8)
    出版者: Asia University
    摘要: In March and April 2009, an outbreak of H1N1 influenza in Mexico led to hundreds of confirmed cases and a number of deaths. The worldwide spread of H1N1 had attracted everyone's attention and arisen an overwhelm fear. Up to now, there is still an urgent need in the solution for ending this fight. In this study, a QSAR model of neuraminidase (NA) type 1 (N1) provides an access. The pharmacophore map of N1 contained two hydrogen bond acceptor features, one hydrogen bond donor features, and one positive ionizable feature .NCI database was screened by this map to find potent inhibitors of N1. Then, those inhibitors were docked into hemagglutinin type 1 to find out the candidate drugs. The candidate drugs selected via computer-aided drug designing program may be very useful in this worldwide disease, and further investigations in its clinical and scientific application are urgently needed. ©2009 IEEE.
    關聯: Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
    显示于类别:[生物資訊與醫學工程學系 ] 會議論文


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