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    Please use this identifier to cite or link to this item: http://asiair.asia.edu.tw/ir/handle/310904400/16369

    Title: Is That Possible to Design the Versatile Inhibitors for H1N1, H5N1, H5N2, and H5N7 ?
    Authors: 蔡輔仁;Tsai, Fuu-Jen;蔡長海;陳語謙;Chen, Calvin Yu-chian
    Contributors: 生物科技學系
    Keywords: pharmacophore;influenza;drug design;docking
    Date: 2009-10
    Issue Date: 2012-11-23 17:12:08 (UTC+8)
    Abstract: "In this study, a QSAR model of neuraminidase (NA)
    type 1 (N1) was elevated. This map contained two hydrogen bond
    acceptor features, one hydrogen bond donor features, and one
    positive ionizable feature. In the second step, we created the
    interaction maps in the active sites on the neuraminidase type2,
    and type7 (N2 and N7) protein structures. The structure-based
    pharmacophore map was showed the features on every amino
    acid in the active site on the protein structure. The third step was
    pharmacophore comparison, root-mean-squared error (RMSE)
    was reported for the matching pharmacophore features. The
    result showed that the maps of N1, N2, and N7 had subtle
    differences in distances of each features. We created the
    combined map for N1, N2, and N7 to resolving the difference in
    the three NA types. The combined map was employed to NCI
    database screening, then, the potent versatile inhibitors were
    elevated in the results."
    Relation: IEEE/ACM Transactions on Computational Biology and Bioinformatics
    Appears in Collections:[生物科技學系] 期刊論文

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