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    题名: Drug design for KU86 in DNA break repair system
    作者: 蔡輔仁;Tsai, Fuu-Jen;蔡長海;陳語謙;Chen, Calvin Yu-Chian
    贡献者: 生物科技學系
    关键词: DNA;drugs;molecular biophysics
    日期: 2009-10
    上传时间: 2012-11-23 17:12:03 (UTC+8)
    摘要: XRCC4 was well known as the downstream of KU86-DNA complex. They both play an important role in the DNA double-strain breaks (DSBs) repair system subpathway, nonhomologous end joining (NHEJ). In this study, The protocol of docking analysis was applied to find the specific compounds, which had highest affinities to KU86 from our TCM database. The docking results were analyzed to point out potent compounds. Xanthone-9, xanthone-11, 12, and Cycloheterophyllin were suggested as leading compounds for drug design by hydrogen bonds forming on Arg403 in Ku70 and Arg400 in Ku80 Then, xanthone-11 was selected to the protocol of de novo evolution. The diversities of xanthone-11 had 10 kinds of the result of de novo evolution. We suggested that the diversities could be the potent compounds of inhibitors for KU86.
    關聯: IEEE/ACM Transactions on Computational Biology and Bioinformatics
    显示于类别:[生物科技學系] 期刊論文


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