Rapid characterization of chemical constituents and rats metabolites of the traditional Chinese patent medicine Gegen-Qinlian-Wan by UHPLC/DAD/qTOF-MS

Miao, Wenjuan; Wang, Qing; Tao, Bo; Ye, Min; Qiao, Xue; Yang, Wenzhi; Cheng, Xiang; Guan, Xiangyu; Guo, Dan

doi:10.1016/j.jpba.2012.09.015

Cited by 75 publications

(42 citation statements)

References 32 publications

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“…Flavonoid O -glucuronides yielded similar MS fragments (NL 176) as their metabolites Besides, flavones, flavanonols and flavonols showed various fragmentation pathways, which could be explained according to previous studies141931. Characteristic fragments were summarized for Scutellaria compounds (Fig.…”

Section: Resultsmentioning

confidence: 58%

“…m/z 241, 257, and 267. Phase II metabolites mainly undertook neutral losses of glucuronide (NL 176) and sulfate (NL 80)121925. Typical MS/MS fragmentations are shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

“…monitored the plasma concentrations of 10 phytochemicals and 6 phase II metabolites for decoction and concentrated powder of GQD18. We had also investigated the metabolites of GQD, and identified 42 in vivo metabolites (21 of them were detected in plasma)19. The in vivo exposed metabolites of GQD were not systematically characterized given its complex chemical composition.…”

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confidence: 99%

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Compound to Extract to Formulation: a knowledge-transmitting approach for metabolites identification of Gegen-Qinlian Decoction, a traditional Chinese medicine formula

Qiao

Wang

et al. 2016

Sci Rep

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Herbal medicines usually contain a large group of chemical components, which may be transformed into more complex metabolites in vivo. In this study, we proposed a knowledge-transmitting strategy for metabolites identification of compound formulas. Gegen-Qinlian Decoction (GQD) is a classical formula in traditional Chinese medicine (TCM). It is widely used to treat diarrhea and diabetes in clinical practice. However, only tens of metabolites could be detected using conventional approaches. To comprehensively identify the metabolites of GQD, a “compound to extract to formulation” strategy was established in this study. The metabolic pathways of single representative constituents in GQD were studied, and the metabolic rules were transmitted to chemically similar compounds in herbal extracts. After screening diversified metabolites from herb extracts, the knowledge was summarized to identify the metabolites of GQD. Tandem mass spectrometry (MSn), fragment-based scan (NL, PRE), and selected reaction monitoring (SRM) were employed to identify, screen, and monitor the metabolites, respectively. Using this strategy, we detected 131 GQD metabolites (85 were newly generated) in rats biofluids. Among them, 112 metabolites could be detected when GQD was orally administered at a clinical dosage (12.5 g/kg). This strategy could be used for systematic metabolites identification of complex Chinese medicine formulas.

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Section: Resultsmentioning

confidence: 58%

“…m/z 241, 257, and 267. Phase II metabolites mainly undertook neutral losses of glucuronide (NL 176) and sulfate (NL 80)121925. Typical MS/MS fragmentations are shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

mentioning

confidence: 99%

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Compound to Extract to Formulation: a knowledge-transmitting approach for metabolites identification of Gegen-Qinlian Decoction, a traditional Chinese medicine formula

Qiao

Wang

et al. 2016

Sci Rep

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“…The active constituents of S. baicalensis are mainly flavonoids such as baicalin, baicalein, wogonoside, and wogonin, and more than 60 structures have been identified (Li et al, 2004). Existing studies on in vivo metabolism of compounds identified in S. baicalensis are restricted to several single compounds (Feng et al, 2010;Miao et al, 2013;Zhang et al, 2014). Furthermore, investigation on the excretion of several main active ingredients in the extract is blank.…”

Section: Introductionmentioning

confidence: 99%

UPLC-Q-TOF/MS-based screening and identification of the main flavonoids and their metabolites in rat bile, urine and feces after oral administration of Scutellaria baicalensis extract

Qian

Shang

et al. 2015

Journal of Ethnopharmacology

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“…Glucuronide and sulfate conjugations were found to be the major metabolic reactions of TongMai Keli in rat plasma [44]. In vivo metabolisms of Fufang Danshen and Gegen Qinlian were also reported [45,46].…”

Section: Active Constituent Identification and Their Metabolites Profmentioning

confidence: 92%

Quadrupole time-of-flight mass spectrometry as a powerful tool for demystifying traditional Chinese medicine

Zheng-xiang¹,

Tao²,

Bai

et al. 2015

TrAC Trends in Analytical Chemistry

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Rapid characterization of chemical constituents and rats metabolites of the traditional Chinese patent medicine Gegen-Qinlian-Wan by UHPLC/DAD/qTOF-MS

Cited by 75 publications

References 32 publications

Compound to Extract to Formulation: a knowledge-transmitting approach for metabolites identification of Gegen-Qinlian Decoction, a traditional Chinese medicine formula

Compound to Extract to Formulation: a knowledge-transmitting approach for metabolites identification of Gegen-Qinlian Decoction, a traditional Chinese medicine formula

UPLC-Q-TOF/MS-based screening and identification of the main flavonoids and their metabolites in rat bile, urine and feces after oral administration of Scutellaria baicalensis extract

Quadrupole time-of-flight mass spectrometry as a powerful tool for demystifying traditional Chinese medicine

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