ASIA unversity:Item 310904400/16727
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    题名: Investigation into Potent Inflammation Inhibitors from Traditional Chinese Medicine
    作者: 蔡輔仁;Tsai, Fuu-Jen;陳語謙;Chen, Calvin Yu-Chian
    贡献者: 生物科技學系
    关键词: anti-inflammation;docking;m-PGES-1;molecular dynamics;quantitative structure-activity relationship;traditional Chinese medicine
    日期: 2011-09
    上传时间: 2012-11-23 09:16:20 (UTC+0)
    摘要: "Microsomal prostaglandin E synthase-1 (mPGES-1) is the key enzyme for prostaglandin E2 (PGE2) generation during inflammation and is a potential target for designing anti-inflammatory drugs. Potential inhibitors of m-PGES-1 were selected from traditional Chinese medicine (TCM Database@Taiwan) based on the pharmacophore map generated by the top HypoGen hypothesis and validated using structure- and ligand-based analysis. Key features for potential m-PGES-1 inhibitors include pi-interactions and H-bond donors. TCM compounds, shanciol B, shanciol A, castilliferol, and aurantiamide acetate, contoured to the quantitative structure-activity relationship pharmacophore and exhibited high docking scores and binding stability with m-PGES-1. Bioactivity models multiple linear regression (MLR) and support vector machine also supported activity predictions for the candidate compounds. Our results indicate that the investigated TCM compounds could be of use for development into mPGES-1 inhibitors.[ABSTRACT FROM AUTHOR]
    Copyright of Chemical Biology & Drug Design is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.Copyright applies to all Abstracts."
    關聯: Chemical Biology & Drug Design
    显示于类别:[生物科技學系] 期刊論文

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