Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry
Leonurine, a major bioactive component from Herba Leonuri, shows therapeutic potential for cardiovascular disease and stroke prevention in some preclinical experiments. The aim of this study is to characterize metabolites of leonurine in rats using high performance liquid chromatography coupled with...
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| Format: | Article |
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Wiley
2014-01-01
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| Series: | The Scientific World Journal |
| Online Access: | http://dx.doi.org/10.1155/2014/947946 |
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| author | Qing Zhu Jinlian Zhang Ping Yang Bo Tan Xinhua Liu Yuanting Zheng Weimin Cai Yizhun Zhu |
| author_facet | Qing Zhu Jinlian Zhang Ping Yang Bo Tan Xinhua Liu Yuanting Zheng Weimin Cai Yizhun Zhu |
| author_sort | Qing Zhu |
| collection | DOAJ |
| description | Leonurine, a major bioactive component from Herba Leonuri, shows therapeutic potential for cardiovascular disease and stroke prevention in some preclinical experiments. The aim of this study is to characterize metabolites of leonurine in rats using high performance liquid chromatography coupled with tandem mass spectrometry (HPLC/MS/MS). The chromatographic separation was performed on an Agilent ZORBAX SB-C18 column using a gradient elution with acetonitrile/ammonium acetate buffer (10 mM, pH 4.0) solvent system. An information dependent acquisition (IDA) method was developed for screening and identifying metabolites of leonurine under positive ion mode. Compared with control, the interesting compound in the extracted ion chromatogram (XIC) of the in vivo samples was chosen and further identified by analyzing their retention times, changes in observed mass (Δm/z), and spectral patterns of product ion utilizing advanced software tool. For the first time, a total of three metabolites were identified, including two phase II metabolites generated by glucuronidation (M1) and sulfation (M2) and one phase I metabolite formed by O-demethylation (M3). Finally, the lead metabolite M1 was isolated from urine and its structure was characterized as leonurine-10-O-β-D-glucuronide by NMR spectroscopy (1H, 13C, HMBC, and HSQC). |
| format | Article |
| id | doaj-art-fdc14825ed08405ea438f88b464d558a |
| institution | Kabale University |
| issn | 2356-6140 1537-744X |
| language | English |
| publishDate | 2014-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | The Scientific World Journal |
| spelling | doaj-art-fdc14825ed08405ea438f88b464d558a2025-08-20T03:25:27ZengWileyThe Scientific World Journal2356-61401537-744X2014-01-01201410.1155/2014/947946947946Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR SpectrometryQing Zhu0Jinlian Zhang1Ping Yang2Bo Tan3Xinhua Liu4Yuanting Zheng5Weimin Cai6Yizhun Zhu7School of Medicine, Nantong University, 19 Qixiu Road, Nantong 226001, ChinaDepartment of Clinical Pharmacy, School of Pharmacy, Fudan University, 826 Zhangheng Road, Pudong District, Shanghai 201203, ChinaAnalytical and Testing Center, School of Pharmacy, Fudan University, 826 Zhangheng Road, Pudong District, Shanghai 201203, ChinaAnalytical and Testing Center, School of Pharmacy, Fudan University, 826 Zhangheng Road, Pudong District, Shanghai 201203, ChinaDepartment of Pharmacology, School of Pharmacy, Fudan University, 826 Zhangheng Road, Pudong District, Shanghai 201203, ChinaDepartment of Clinical Pharmacy, School of Pharmacy, Fudan University, 826 Zhangheng Road, Pudong District, Shanghai 201203, ChinaDepartment of Clinical Pharmacy, School of Pharmacy, Fudan University, 826 Zhangheng Road, Pudong District, Shanghai 201203, ChinaDepartment of Pharmacology, School of Pharmacy, Fudan University, 826 Zhangheng Road, Pudong District, Shanghai 201203, ChinaLeonurine, a major bioactive component from Herba Leonuri, shows therapeutic potential for cardiovascular disease and stroke prevention in some preclinical experiments. The aim of this study is to characterize metabolites of leonurine in rats using high performance liquid chromatography coupled with tandem mass spectrometry (HPLC/MS/MS). The chromatographic separation was performed on an Agilent ZORBAX SB-C18 column using a gradient elution with acetonitrile/ammonium acetate buffer (10 mM, pH 4.0) solvent system. An information dependent acquisition (IDA) method was developed for screening and identifying metabolites of leonurine under positive ion mode. Compared with control, the interesting compound in the extracted ion chromatogram (XIC) of the in vivo samples was chosen and further identified by analyzing their retention times, changes in observed mass (Δm/z), and spectral patterns of product ion utilizing advanced software tool. For the first time, a total of three metabolites were identified, including two phase II metabolites generated by glucuronidation (M1) and sulfation (M2) and one phase I metabolite formed by O-demethylation (M3). Finally, the lead metabolite M1 was isolated from urine and its structure was characterized as leonurine-10-O-β-D-glucuronide by NMR spectroscopy (1H, 13C, HMBC, and HSQC).http://dx.doi.org/10.1155/2014/947946 |
| spellingShingle | Qing Zhu Jinlian Zhang Ping Yang Bo Tan Xinhua Liu Yuanting Zheng Weimin Cai Yizhun Zhu Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry The Scientific World Journal |
| title | Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry |
| title_full | Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry |
| title_fullStr | Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry |
| title_full_unstemmed | Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry |
| title_short | Characterization of Metabolites of Leonurine (SCM-198) in Rats after Oral Administration by Liquid Chromatography/Tandem Mass Spectrometry and NMR Spectrometry |
| title_sort | characterization of metabolites of leonurine scm 198 in rats after oral administration by liquid chromatography tandem mass spectrometry and nmr spectrometry |
| url | http://dx.doi.org/10.1155/2014/947946 |
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