English  |  正體中文  |  简体中文  |  Items with full text/Total items : 90451/105768 (86%)
Visitors : 11089865      Online Users : 627
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/310904400/16472


    Title: Insights into designing the dual-targeted HER2/HSP90 inhibitors
    Authors: 陳語謙;Chen, Calvin Yu-Chian
    Contributors: 生物科技學系
    Keywords: Dual-targeted inhibitors;HER2;HSP90;QSAR;Pharmacophore
    Date: 2010-08
    Issue Date: 2012-11-23 17:13:33 (UTC+8)
    Abstract: Heat shock protein 90 (HSP90) and human epidermal growth factor receptor 2 (HER2) are two key cancer markers actively involved in several signal pathways for cancer cell growth. In this study, we focused on the designing of dual-targeted HSP and HER2 inhibitors. Comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA), and pharmacophore analysis were employed for generating the activity prediction models. The results of CoMFA model showed highly predictive r(2) value with 0.922 and 0.885 in HSP90 and HER2, respectively. In CoMSIA model, the r(2) values were 0.967 and 0.936 in HSP90 and HER2, respectively. The contour maps of both targets showed that there were similar regions of bulky favored area. Additionally, the Hypogen results for HER2 showed high cost difference as 59.13 and r-value as 0.909. At the C2 position of the benzene ring, the HER2 model favored steric bulkier substitutes more than HSP90. The Hypogen results for HSP90 also showed reliable values in cost difference, 85.82 and r-value, 0.902. Overall, we investigated the significances of QSAR models and pharmacophore features for designing the HER2/HSP90 dual-targeted inhibitors.
    Relation: JOURNAL OF MOLECULAR GRAPHICS & MODELLING
    Appears in Collections:[生物科技學系] 期刊論文

    Files in This Item:

    File Description SizeFormat
    index.html0KbHTML92View/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