A quality control （QC） strategy for quantitative and qualitative analysis of “common peaks” in chemical fingerprint was proposed to analyze Yuanhu Zhitong tablet （YZT）, using high performance liquid chromatograp...A quality control （QC） strategy for quantitative and qualitative analysis of “common peaks” in chemical fingerprint was proposed to analyze Yuanhu Zhitong tablet （YZT）, using high performance liquid chromatography with diode array detector and tandem mass spectrometry （HPLC-DAD-MS/MS）. The chromatographic separation was achieved on an Agilent Eclipse plus C18 column with a gradient elution using a mixture of 0.4‰ ammonium acetate aqueous （pH 6.0 adjusted with glacial acetic acid） and acetonitrile. In chemical fingerprint, 40 peaks were assigned as the “common peaks”. For quantification of “common peaks”, the detection wavelength was set at 254 nm, 270 nm, 280 nm and 345 nm, respectively. The method was validated and good results were obtained to simultaneously determine 10 analytes （protopine, jatrorrhizine, coptisine, palmatine, berberine, xanthotoxin, bergapten, tetrahydropalmatine, imperatorin and isoimperatorin）. For qualification of “common peaks”, 33 compounds including 10 quantitative analytes were identified or tentatively characterized using LC-MS/MS. These results demonstrated that the present approach may be a powerful and useful tool to tackle the complex quality issue of YZT.展开更多
Objective:Primary dysmenorrhea(PD)is a prevalent gynecological disorder.Yuanhu Zhitong oral liquid(YHZT)presents a promising alternative treatment for PD.However,the mechanisms underlying its efficacy remain unclear.T...Objective:Primary dysmenorrhea(PD)is a prevalent gynecological disorder.Yuanhu Zhitong oral liquid(YHZT)presents a promising alternative treatment for PD.However,the mechanisms underlying its efficacy remain unclear.This study aims to investigate the potential targets and mechanisms of action of YHZT in treating PD using network pharmacology,molecular docking,and molecular dynamics simulations.Methods:Potential compounds from YHZT were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and the Traditional Chinese Medicine Information Database(TCMID).The relevant targets of these compounds were identified using the similarity ensemble approach(SEA)and the Swiss Target Prediction database.PD-related targets were retrieved from the Genecards,DrugBank,and Disgenet databases.ClusterProfiler was utilized for Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.The compound-target-pathway(CTP)network was constructed to facilitate the identification of key compounds,core targets,and signaling pathways.Finally,molecular docking and molecular dynamics simulations were performed to evaluate the interactions between the targets and compounds.Results:A total of 153 putative compounds and 129 targets of YHZT were identified.Network topology analysis revealed eight core targets and six key compounds.The effects of YHZT were mediated by genes associated with hormone and steroid metabolism,as well as pathways involved in steroid hormone biosynthesis and cytochrome P450 enzymes.Docking results showed free binding energies ranging from-6.06 to-10.85 kcal/mol,indicating strong binding affinity between the compounds and targets.Molecular dynamics simulation results further confirmed the stability of these interactions.Conclusion:This study demonstrates that YHZT treats PD by suppressing inflammatory reactions and modulating hormone and cytochrome P450 concentrations.Key compounds such as ferulic acid,(R)-canadine,(S)-canadine,canadine,and asristolone are implicated in this process.These findings offer insights into the mechanisms underlying the action of YHZT and provide a foundation for further research in this area.展开更多
Objective To establish an effective approach for rapid and comprehensive analysis on the absorbed and metabolic components in rats after ig administration of Yuanhu Zhitong Dropping Pill（YHZT）. Methods Based on the ...Objective To establish an effective approach for rapid and comprehensive analysis on the absorbed and metabolic components in rats after ig administration of Yuanhu Zhitong Dropping Pill（YHZT）. Methods Based on the combination of UPLC-Q-TOF/MS and multivariate statistical analysis, the absorbed prototype constituents and their metabolites in rat plasma were rapidly analyzed and identified, and the components absorbed into brain were further identified by comparing the extracted ion chromatograms（EICs） of control and brain tissue samples of dosed rats. Results A total of 38 YHZT-related xenobiotic compounds were detected and identified as the potential bioactive constituents in rat plasma, including 24 absorbed prototype constituents and 14 metabolites. In particular, of all prototype constituents, 14 were also detected in rat brain tissue, indicating that they could penetrate the blood-brain barrier and enter into brain. Conclusion An effective method is established and applied to analyze the potential bioactive constituents in YHZT, which provides a pathway to further investigate the pharmacological pattern and mechanism of YHZT.展开更多
基金the support of this work funded by the Priority Academic Program Development of Jiangsu Higher Education InstitutionJiangsu Overseas Research&Training Program for University Prominent Young&Middle-aged Teachers and Presidents
文摘A quality control （QC） strategy for quantitative and qualitative analysis of “common peaks” in chemical fingerprint was proposed to analyze Yuanhu Zhitong tablet （YZT）, using high performance liquid chromatography with diode array detector and tandem mass spectrometry （HPLC-DAD-MS/MS）. The chromatographic separation was achieved on an Agilent Eclipse plus C18 column with a gradient elution using a mixture of 0.4‰ ammonium acetate aqueous （pH 6.0 adjusted with glacial acetic acid） and acetonitrile. In chemical fingerprint, 40 peaks were assigned as the “common peaks”. For quantification of “common peaks”, the detection wavelength was set at 254 nm, 270 nm, 280 nm and 345 nm, respectively. The method was validated and good results were obtained to simultaneously determine 10 analytes （protopine, jatrorrhizine, coptisine, palmatine, berberine, xanthotoxin, bergapten, tetrahydropalmatine, imperatorin and isoimperatorin）. For qualification of “common peaks”, 33 compounds including 10 quantitative analytes were identified or tentatively characterized using LC-MS/MS. These results demonstrated that the present approach may be a powerful and useful tool to tackle the complex quality issue of YZT.
基金funded by the Science and Technology Development Fund of Macao SAR(No.:005/2023/SKL,and SKL-QRCM(UM)-2023-2025)the University of Macao(No.:MYRG2022-00103-ICMS and MYRG-CRG2023-00007-ICMS-IAS).
文摘Objective:Primary dysmenorrhea(PD)is a prevalent gynecological disorder.Yuanhu Zhitong oral liquid(YHZT)presents a promising alternative treatment for PD.However,the mechanisms underlying its efficacy remain unclear.This study aims to investigate the potential targets and mechanisms of action of YHZT in treating PD using network pharmacology,molecular docking,and molecular dynamics simulations.Methods:Potential compounds from YHZT were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and the Traditional Chinese Medicine Information Database(TCMID).The relevant targets of these compounds were identified using the similarity ensemble approach(SEA)and the Swiss Target Prediction database.PD-related targets were retrieved from the Genecards,DrugBank,and Disgenet databases.ClusterProfiler was utilized for Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis.The compound-target-pathway(CTP)network was constructed to facilitate the identification of key compounds,core targets,and signaling pathways.Finally,molecular docking and molecular dynamics simulations were performed to evaluate the interactions between the targets and compounds.Results:A total of 153 putative compounds and 129 targets of YHZT were identified.Network topology analysis revealed eight core targets and six key compounds.The effects of YHZT were mediated by genes associated with hormone and steroid metabolism,as well as pathways involved in steroid hormone biosynthesis and cytochrome P450 enzymes.Docking results showed free binding energies ranging from-6.06 to-10.85 kcal/mol,indicating strong binding affinity between the compounds and targets.Molecular dynamics simulation results further confirmed the stability of these interactions.Conclusion:This study demonstrates that YHZT treats PD by suppressing inflammatory reactions and modulating hormone and cytochrome P450 concentrations.Key compounds such as ferulic acid,(R)-canadine,(S)-canadine,canadine,and asristolone are implicated in this process.These findings offer insights into the mechanisms underlying the action of YHZT and provide a foundation for further research in this area.
基金National Natural Science Foundation of China(No.81430096)
文摘Objective To establish an effective approach for rapid and comprehensive analysis on the absorbed and metabolic components in rats after ig administration of Yuanhu Zhitong Dropping Pill（YHZT）. Methods Based on the combination of UPLC-Q-TOF/MS and multivariate statistical analysis, the absorbed prototype constituents and their metabolites in rat plasma were rapidly analyzed and identified, and the components absorbed into brain were further identified by comparing the extracted ion chromatograms（EICs） of control and brain tissue samples of dosed rats. Results A total of 38 YHZT-related xenobiotic compounds were detected and identified as the potential bioactive constituents in rat plasma, including 24 absorbed prototype constituents and 14 metabolites. In particular, of all prototype constituents, 14 were also detected in rat brain tissue, indicating that they could penetrate the blood-brain barrier and enter into brain. Conclusion An effective method is established and applied to analyze the potential bioactive constituents in YHZT, which provides a pathway to further investigate the pharmacological pattern and mechanism of YHZT.
