A novel insight into the potential toxicity mechanisms of Zhi-Zi-Hou-Po decoction by dynamic urinary metabolomics based on UHPLC-Q-Exactive Orbitrap-MS

2020 ◽  
Vol 1142 ◽  
pp. 122019 ◽  
Author(s):  
Qianqian Zhang ◽  
Fang Feng
Toxicology ◽  
2011 ◽  
Vol 283 (2-3) ◽  
pp. 96-100 ◽  
Author(s):  
Chao Ma ◽  
Hong Kang ◽  
Qi Liu ◽  
Ruixin Zhu ◽  
Zhiwei Cao

2021 ◽  
Author(s):  
Tingting Dai ◽  
Guoxiang Sun

Active compounds’ analysis between Flos Chrysanthemi Indici (FCI) and its preparation (FCIP), and the comprehensive quality assessment of its preparation as well as the correlation analysis between the antioxidant activity and fingerprint.


Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3977
Author(s):  
Shaoyun Wang ◽  
Xiaozhu Sun ◽  
Shuo An ◽  
Fang Sang ◽  
Yunli Zhao ◽  
...  

Polygoni Multiflori Radix Praeparata (PMRP), as the processed product of tuberous roots of Polygonum multiflorum Thunb., is one of the most famous traditional Chinese medicines, with a long history. However, in recent years, liver adverse reactions linked to PMRP have been frequently reported. Our work attempted to investigate the chemical constituents of PMRP for clinical research and safe medication. In this study, an effective and rapid method was established to separate and characterize the constituents in PMRP by combining ultra-high performance liquid chromatography with hybrid quadrupole-orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap-MS). Based on the accurate mass measurements for molecular and characteristic fragment ions, a total of 103 compounds, including 24 anthraquinones, 21 stilbenes, 15 phenolic acids, 14 flavones, and 29 other compounds were identified or tentatively characterized. Forty-eight compounds were tentatively characterized from PMRP for the first time, and their fragmentation behaviors were summarized. There were 101 components in PMRP ethanol extract (PMRPE) and 91 components in PMRP water extract (PMRPW). Simultaneously, the peak areas of several potential xenobiotic components were compared in the detection, which showed that PMRPE has a higher content of anthraquinones and stilbenes. The obtained results can be used in pharmacological and toxicological research and provided useful information for further in vitro and in vivo studies.


ACS Omega ◽  
2021 ◽  
Author(s):  
Kanghui Wang ◽  
Jingyuan Tian ◽  
Yueshan Li ◽  
Mengshi Liu ◽  
Yingxin Chao ◽  
...  

2021 ◽  
Vol 22 ◽  
Author(s):  
Fan Dong ◽  
Shaoping Wang ◽  
Ailin Yang ◽  
Haoran Li ◽  
Pingping Dong ◽  
...  

Background: α-mangostin, a typical xanthone, often exists in Garcinia mangostana L. (Clusiaceae). α-mangostin was found to have a wide range of pharmacological properties. However, its specific metabolic route in vivo remains unclear, while these metabolites may accumulate to exert pharmacological effects, too. Objective: This study aimed to clarify the metabolic pathways of α-mangostin after oral administration to the rats. Methods: Here, an UHPLC-Q-Exactive Orbitrap MS was used for the detection of potential metabolites formed in vivo. A new strategy for the identification of unknown metabolites based on typical fragmentation routes was implemented. Results: A total of 42 metabolites were detected, and their structures were tentatively identified in this study. The results showed that major in vivo metabolic pathways of α-mangostin in rats included methylation, demethylation, methoxylation, hydrogenation, dehydrogenation, hydroxylation, dehydroxylation, glucuronidation, and sulfation. Conclusions: This study is significant to expand our knowledge of the in vivo metabolism of α-mangostin and to understand the mechanism of action of α-mangostin in rats in vivo.


2020 ◽  
Vol 133 ◽  
pp. 109138 ◽  
Author(s):  
Chen He ◽  
Zexin Sun ◽  
Xingchen Qu ◽  
Jun Cao ◽  
Xuanri Shen ◽  
...  

2017 ◽  
Vol 65 (32) ◽  
pp. 6848-6860 ◽  
Author(s):  
Qiangqiang Li ◽  
Xinwen Liang ◽  
Liang Zhao ◽  
Zhongyin Zhang ◽  
Xiaofeng Xue ◽  
...  

2020 ◽  
Vol 13 (12) ◽  
pp. 8768-8782
Author(s):  
Fan Dong ◽  
Shaoping Wang ◽  
Ailin Yang ◽  
Qiyan Li ◽  
Yuqi Wang ◽  
...  

2021 ◽  
Vol 12 ◽  
Author(s):  
Zhenwei Lan ◽  
Ying Zhang ◽  
Yue Sun ◽  
Lvhong Wang ◽  
Yuting Huang ◽  
...  

Recent studies concerning products that originate from natural plants have sought to clarify active ingredients, which both explains the mechanisms of the function and aids in quality control during production. As a traditional functional plant, Curcumae Rhizoma (CR) has been proven to be effective in promoting blood circulation and removing blood stasis. However, the components that play a role in its huge compound library are still unclear. The present study aimed to develop a high-throughput screening method to identify thrombin inhibitors in CR and validate them by in vitro and in vivo experiments. The effect of CR on thrombin in HUVECs cells was determined by ELISA, then an affinity-ultrafiltration-UPLC-Q-Exactive Orbitrap/MS approach was applied. Agatroban and adenosine were used as positive and negative drugs respectively to verify the reliability of the established method. The in vitro activity of the compounds was determined by specific substrate S-2238. The in vivo effect of the active ingredients was determined using zebrafish. Molecular docking was used to understand the internal interactions between compounds and enzymes. ELISA results showed that CR had an inhibitory effect on thrombin. The screening method established in this paper is reliable, by which a total of 15 active compounds were successfully identified. This study is the first to report that C7, 8, and 11 have in vitro thrombin-inhibitory activity and significantly inhibit thrombosis in zebrafish models at a safe dose. Molecular docking studies were employed to analyze the possible active binding sites, with the results suggesting that compound 16 is likely a better thrombin inhibitor compared with the other compounds. Based on the affinity-ultrafiltration-UPLC-Q-Exactive Orbitrap/MS approach, a precisely targeted therapy method using bio-active compounds from CR might be successfully established, which also provides a valuable reference for targeted therapy, mechanism exploration, and the quality control of traditional herbal medicine.


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