Investigation into Potent Inﬂammation Inhibitors from Traditional Chinese Medicine

ASIAIR > College of Medical and Health Science > Department of Biotechnology > Journal Article > Item 310904400/16727

Please use this identifier to cite or link to this item: http://asiair.asia.edu.tw/ir/handle/310904400/16727

Title:	Investigation into Potent Inﬂammation Inhibitors from Traditional Chinese Medicine
Authors:	蔡輔仁;Tsai, Fuu-Jen;陳語謙;Chen, Calvin Yu-Chian
Contributors:	生物科技學系
Keywords:	anti-inflammation;docking;m-PGES-1;molecular dynamics;quantitative structure-activity relationship;traditional Chinese medicine
Date:	2011-09
Issue Date:	2012-11-23 09:16:20 (UTC+0)
Abstract:	"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."
Relation:	Chemical Biology & Drug Design
Appears in Collections:	[Department of Biotechnology] Journal Article

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