English  |  正體中文  |  简体中文  |  Items with full text/Total items : 90120/105277 (86%)
Visitors : 8143217      Online Users : 1036
RC Version 6.0 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.
Scope Tips:
  • please add "double quotation mark" for query phrases to get precise results
  • please goto advance search for comprehansive author search
  • Adv. Search
    HomeLoginUploadHelpAboutAdminister Goto mobile version


    Please use this identifier to cite or link to this item: http://asiair.asia.edu.tw/ir/handle/310904400/8774


    Title: Dual-targeted drug design of HER2 and HSP90 by CoMFA model and pharmacophore analysis
    Authors: Huang, Hung-Jin;Bau, Da-Tian;Tsai, Ming-Hsui;Hsu, Yuan-Man;Ho, Tin-Yun;Chen, Chien-Yu;Chang, Yea-Huey;Tsai, Fuu-Jen;Tsai, Chang-Hai;Chen, Calvin Yu-Chian
    Contributors: Department of Bioinformatics
    Keywords: Biomedical engineering;Cell proliferation;Pharmacodynamics;Proteins;Targets;Cancer cells;Cancer therapy;CoMFA;Comparative molecular field analysis;Contour map;Cost differences;Cross validation;Drug Design;Heat shock protein;Human epidermal growth factor;Pharmacophore models;Pharmacophores;Predictive models;Signal pathways
    Date: 2009
    Issue Date: 2010-04-08 20:05:57 (UTC+8)
    Publisher: Asia University
    Abstract: Heat shock protein 90 (HSP90) and human epidermal growth factor receptor 2 protein (HER2) are involved in several signal pathways for cancer cell proliferation. We focused on these two hallmarkers to design the dual-targeted inhibitors for cancer therapy. The comparative molecular field analysis (CoMFA) and pharmacophore analysis were employed for generating the predictive models. According the leave-one out (LOO) cross-validation, the CoMFA models obtained the significant r2 values of 0.978 and 0.974 for HSP90 and HER2, respectively. The contour maps of both targets indicated that there were amount of similar bulky favors area. Besides, the cost difference of pharmacophore models was 48.539 for 70% correlation with the experiment. The queries at 3-N and 6-N position of purine-based compound had the similar distributions. This study provided important information for design the HER2 and HSP90 dual-targeted inhibitors ©2009 IEEE.
    Relation: Proceedings of the 2009 2nd International Conference on Biomedical Engineering and Informatics, BMEI 2009
    Appears in Collections:[生物資訊與醫學工程學系 ] 會議論文

    Files in This Item:

    File Description SizeFormat
    0KbUnknown334View/Open
    310904400-8774.doc47KbMicrosoft Word442View/Open


    All items in ASIAIR are protected by copyright, with all rights reserved.


    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library IR team Copyright ©   - Feedback