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    题名: Reducing without side effects? A novel strategy for designing the PPAR agonists
    作者: Chang, Yea-Huey;Bau, Da-Tian;Tsai, Ming-Hsui;Hsu, Yuan-Man;Ho, Tin-Yun;Chen, Chien-Yu;Huang, Hung-Jin;Tsai, Fuu-Jen;Tsai, Chang-Hai;Chen, Calvin Yu-Chian
    贡献者: Department of Bioinformatics
    关键词: Biomedical engineering;Docking;Drug interactions;Sulfur compounds;3D-QSAR;Novel strategies;Pharmacophores;Side effect;Target receptor;Three-dimensional quantitative structure-activity relationship
    日期: 2009
    上传时间: 2010-04-08 20:05:51 (UTC+8)
    出版者: Asia University
    摘要: In this investigation, the CoMFA and CoMSIA in the three-dimensional quantitative structure-activity relationship (3DQSAR) studies were implemented to search for the pharmacophore features in each target receptor. QSAR pharmacophores hypothesis models were made from a series of ligands by their activity values. Besides, we made use of the docking strategy between the structures of each PPARs subtype. Eventually, selectivity factor is employed for us to search new drugs. By means of taking advantage of the results of 3D-QSAR studies and docking strategy, we search out the specific drugs fitting the two PPAR subtypes but repelling the other PPAR subtype effectively and selectively. ©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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