Screening of minor bioactive compounds from herbal medicines by in silico docking and the trace peak exposure methods
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- 作者：Bin Wu ; Hui-Peng Song ; Xu Zhou ; Xin-Guang Liu ; Wen Gao ; Xin Dong ; Hui-Jun Li ; Ping Li ; liping2004@126.com" class="auth_mail" title="E-mail the corresponding author ; Hua Yang ; 104yang104@163.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Ginkgo ; Ultrafiltration ; LC-QTOF MS ; Docking ; Trace peak exposure ; Minor bioactive compounds
- 刊名：Journal of Chromatography A
- 出版年：2016
- 出版时间：4 March 2016
- 年：2016
- 卷：1436
- 期：Complete
- 页码：91-99
- 全文大小：2173 K
文摘
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A strategy for screening trace enzyme inhibitors in herbal medicines was proposed.
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UF-LC-QTOF MS was used to preliminarily find the α-glucosidase binders.
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Docking analysis was adopted to predict the potential trace inhibitors.
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Segment and exposure approach based LC-QTOF MS was applied to identify trace compounds.
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11 Compounds of Ginkgo biloba extract were identified as high-quality α-glucosidase inhibitors.