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1.
Front Pharmacol ; 12: 627451, 2021.
Artigo em Inglês | MEDLINE | ID: mdl-34557088

RESUMO

Depression, one of the most prevalent psychiatric diseases, affects the quality of life of millions of people. Studies have shown that the lower polar fraction of Bupleuri Radix (PBR) elicited therapeutic effects in chronic unpredictable mild stress (CUMS) rats. In contrast, comparatively mild liver injury was observed in normal rats administered a high PBR dose. It is essential to clarify the effective and safe dose of PBR and its dose-effect/toxicity relationship. In this study, we used the CUMS model to evaluate the effects and toxicities of PBR and to decipher the dose-effect/toxicity relationship and mechanism using the liver metabonomics combined with multivariate statistical analysis. In CUMS rats, PBR improved the depression-like behaviors including reduced body growth rate, anhedonia, and locomotor activities, and markedly reduced the contents of alanine aminotransferase (ALT) and aspartate aminotransferase (AST). In control rats, PBR treatment altered ALT and AST from typical levels. Moreover, the effective dose range for CUMS rats was 12.6-163 g (herb)/kg, the median toxicity dose for CUMS and normal rats were 388 and 207 g (herb)/kg. The toxicological results showed that the cytokeratin-18 fragment level was increased significantly in CUMS rats given with 100 g (herb)/kg PBR. After a comprehensive analysis, the use of PBR dose was determined to be 12.6-50 g (herb)/kg. In CUMS rats, PBR could reverse amino acid metabolism, energy metabolism, sphingolipid metabolism, and ß-oxidation of fatty acids to produce an anti-depressant effect in a dose-dependent manner. In control rats, two additional metabolic pathways were significantly perturbed by PBR, including glycerophospholipid metabolism and bile acid metabolism. Moreover, the comprehensive metabolic index including dose-effect index (DEI) and dose toxicity index (DTI) had a remarkable ability (ROC = 0.912, ROC = 0.878) to predict effect and toxicity. The DEI and DTI were used to determine the dose range of effect and toxicity which was shown high concordance with previous results. Furthermore, the CUMS rats possessed a higher toxicity tolerance dose of PBR which was consistent with the theory of "You Gu Wu Yun" in traditional Chinese medicine. The metabonomics techniques combined with correlation analysis could be used to discover indicators for comprehensive evaluations of efficacy and toxicity.

2.
Eur J Med Chem ; 225: 113789, 2021 Dec 05.
Artigo em Inglês | MEDLINE | ID: mdl-34438124

RESUMO

SARS-CoV-2 as a positive-sense single-stranded RNA coronavirus caused the global outbreak of COVID-19. The main protease (Mpro) of the virus as the major enzyme processing viral polyproteins contributed to the replication and transcription of SARS-CoV-2 in host cells, and has been characterized as an attractive target in drug discovery. Herein, a set of 1,4-naphthoquinones with juglone skeleton were prepared and evaluated for the inhibitory efficacy against SARS-CoV-2 Mpro. More than half of the tested naphthoquinones could effectively inhibit the target enzyme with an inhibition rate of more than 90% at the concentration of 10 µM. In the structure-activity relationships (SARs) analysis, the characteristics of substituents and their position on juglone core scaffold were recognized as key ingredients for enzyme inhibitory activity. The most active compound, 2-acetyl-8-methoxy-1,4-naphthoquinone (15), which exhibited much higher potency in enzyme inhibitions than shikonin as the positive control, displayed an IC50 value of 72.07 ± 4.84 nM towards Mpro-mediated hydrolysis of the fluorescently labeled peptide. It fit well into the active site cavity of the enzyme by forming hydrogen bonds with adjacent amino acid residues in molecular docking studies. The results from in vitro antiviral activity evaluation demonstrated that the most potent Mpro inhibitor could significantly suppress the replication of SARS-CoV-2 in Vero E6 cells within the low micromolar concentrations, with its EC50 value of about 4.55 µM. It was non-toxic towards the host Vero E6 cells under tested concentrations. The present research work implied that juglone skeleton could be a primary template for the development of potent Mpro inhibitors.


Assuntos
Tratamento Farmacológico da COVID-19 , Naftoquinonas/química , Inibidores de Proteases/uso terapêutico , SARS-CoV-2/enzimologia , Proteínas da Matriz Viral/antagonistas & inibidores , Animais , Sítios de Ligação , COVID-19/patologia , COVID-19/virologia , Domínio Catalítico , Sobrevivência Celular/efeitos dos fármacos , Chlorocebus aethiops , Desenho de Fármacos , Avaliação Pré-Clínica de Medicamentos , Humanos , Ligação de Hidrogênio , Simulação de Acoplamento Molecular , Naftoquinonas/metabolismo , Naftoquinonas/farmacologia , Naftoquinonas/uso terapêutico , Inibidores de Proteases/química , Inibidores de Proteases/metabolismo , Inibidores de Proteases/farmacologia , SARS-CoV-2/isolamento & purificação , Relação Estrutura-Atividade , Células Vero , Proteínas da Matriz Viral/metabolismo
3.
J Pharm Biomed Anal ; 187: 113293, 2020 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-32446142

RESUMO

Established qualitative analysis method for Chaigui granules based on UHPLC-Q-orbitrap-MS/MS and applied to its absorption properties studies. The LC-MS method was established to identify the structures of the components and metabolites. And then biosamples of rats after administration, e.g. intestinal solution, serum and brain microdialysate, were detected in rats with same method. Xcalibur 3.2 software was used for mass spectrum analysis and identification. Compound discover 3.0 was used for metabolite analysis. 95 chemical constituents were identified from Chaigui granules, including sesquiterpenes, flavonoids, lactones, tannins, organic acids, saponins and so on. 82 components and 11 metabolites were found in intestinal solution. 28 chemical constituents and 32 metabolites were found in serum. 15 chemical constituents were found in brain microdialysate. Vanillic acid, abiflorin, paeoniflorin, 4-hydroxybenzoic acid, lactiflorin, Z-butylidenephthalide, saikosaponin c, saikosaponin a, atractylenolide III, saikosaponin g, saikosaponin b1, sesquiterpenes, butylphthalide, saikosaponin d and glycyrrhetinic acid directly passed through the blood-brain barrier, which might be speculated that Chaigui granule plays an antidepressant role mainly through regulating brain central mechanism and endocrine mechanism, and so on. It is a systematically applicable approach for rapid identification and relative quantitation of Chaigui granules in vivo by UHPLC-Q-orbitrap-MS/MS, provides an important basis for the safety evaluation and rational clinical application of Chaigui granules.


Assuntos
Cromatografia Líquida de Alta Pressão/métodos , Medicamentos de Ervas Chinesas/química , Espectrometria de Massas em Tandem/métodos , Animais , Medicamentos de Ervas Chinesas/análise , Medicamentos de Ervas Chinesas/farmacocinética , Masculino , Microdiálise , Ratos , Ratos Sprague-Dawley , Distribuição Tecidual
4.
J Asian Nat Prod Res ; 22(11): 1045-1064, 2020 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-31674206

RESUMO

RB-2 and RB-4 are two structural analogs of polyacetylene from Radix Bupleuri that show antidepressant effects. However, no metabolic data are available to elucidate their systemic homeostasis. Mass spectrometry combined with liver microsomes and recombinant drug-metabolizing enzymes were performed to profile the biotransformations of RB-2/RB-4 in vitro and in vivo. Oxidation should be the major metabolic pathways for them in phase I, while CYP2C9 and CYP2E1 was the major contributor. In phase II, conjugational groups usually combined with the metabolites from phase I. This study provides an important reference basis for the safety evaluation and rational application of RB-2/RB-4.


Assuntos
Bupleurum , Medicamentos de Ervas Chinesas , Microssomos Hepáticos , Estrutura Molecular , Polímero Poliacetilênico , Poli-Inos
5.
Biomed Chromatogr ; 34(4): e4785, 2020 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-31863670

RESUMO

Fangji Huangqi Tang (FHT), has been reported to show effects on nephrotic syndrome, but its mechanism of action and bioactive components have not yet been determined. In this study, a method using UPLC-HRMS/MS was established for the detection and identification of the chemical constituents and metabolites absorbed into the blood. Absorbed components in serum were then used for the network pharmacology analysis to deduce the mechanism and effective components. A total of 86 compounds were identified or tentatively characterized. Based on the same instrumental conditions, 85 compounds were found in rat serum after oral administration of FHT, including 22 prototypes and 63 metabolites. Network pharmacology analysis showed that absorbed components, such as (3R)-2',3',4',7-tetrahydroxyisoflavan, astrapterocarpan, cycloastragenol, 7,2'-dihydroxy-3',4'-dimethoxyisoflavan, astragaloside IV, astrapterocarpan glucoside and glycyrrhetinic acid, could be responsible for the pharmacological activity of nephrotic syndrome by regulating the VEGF signaling pathway, focal adhesion and MAPK signaling pathway. Furthermore, the pathway-target network showed that the MAPK1, AKT2 and CDC42 were involved in the signal pathways above. This study provides a scientific basis for the mechanism and effective ingredients of FHT.


Assuntos
Alcaloides , Medicamentos de Ervas Chinesas/farmacocinética , Isoflavonas , Saponinas , Administração Oral , Alcaloides/sangue , Alcaloides/metabolismo , Animais , Cromatografia Líquida de Alta Pressão/métodos , Medicamentos de Ervas Chinesas/administração & dosagem , Isoflavonas/sangue , Isoflavonas/metabolismo , Masculino , Redes e Vias Metabólicas , Ratos , Ratos Sprague-Dawley , Saponinas/sangue , Saponinas/metabolismo , Espectrometria de Massas em Tandem/métodos
6.
J Pharm Biomed Anal ; 177: 112732, 2020 Jan 05.
Artigo em Inglês | MEDLINE | ID: mdl-31568965

RESUMO

Dingkun Dan (DKD) has been widely used for a variety of gynecological disease. However, the systematic analysis of the chemical constituents of DKD has not been well established because of the complexity of the formula and confidentiality. In this paper, liquid chromatography Q Exactive high resolution accurate mass spectrometry (UHPLC-QE-HRMS) with automated MetaboLynx analysis was established to characterize the chemical constituents of DKD. The analysis was performed on a Water Acquity UPLC® HSS T3 using a gradient elution system. Full scan ranged 100-1500 m/z in positive and negative ion mode combined with MS/MS fragmentation for top 5 ions was proposed for aiding the structural identification of the components. All of the peaks were tentatively characterized by not only comparing the retention time and MS data with those from reported literature and database, but also summarizing the fragmentation pathways and promoting to other ingredients identification. Additionally, the network pharmacology study had been used to analysis the identified ingredients and DKD's clinical diseases. In this work, a total of 121 components and isomers were characterized, including amino acids, phenolic acids, lactones, terpenoids, alkaloids, saponins, flavonoids, and other compounds. Network pharmacology analysis showed that identified compounds, such as ginsenosides and notoginsenosides, crocin I, echinacoside, rutin and verbascoside, could be responsible for the pharmacological activity of DKD by regulating the hormone with related metabolism pathways, estrogen signaling pathways and serotonergic synapse pathways. It could indicate that UHPLC-MS showed obvious superiority used to find the potential bioactive compounds of complicated TCM formula without the process of extraction and isolation.


Assuntos
Medicamentos de Ervas Chinesas/análise , Controle de Qualidade , Cromatografia Líquida de Alta Pressão/métodos , Simulação por Computador , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/farmacologia , Medicamentos de Ervas Chinesas/uso terapêutico , Feminino , Doenças dos Genitais Femininos/tratamento farmacológico , Doenças dos Genitais Femininos/metabolismo , Humanos , Simulação de Acoplamento Molecular , Mapas de Interação de Proteínas/efeitos dos fármacos , Transdução de Sinais/efeitos dos fármacos , Espectrometria de Massas em Tandem/métodos
7.
J Pharm Biomed Anal ; 169: 99-110, 2019 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-30849741

RESUMO

Psychological suboptimal health state (PSHS), a subtype of suboptimal health status (SHS), seriously threatens the physical and mental health of human beings. Baihe Dihuang Tang (BDT), a traditional Chinese medicine prescription, has been used to improve PSHS in clinical and achieve significant efficacy for a long time. Exploring of the underlying mechanism of BDT improving the state of PSHS is of significant importance. In the present work, all subjects were screened in strict accordance with inclusion and exclusion criteria. the UHPLC-Q Exactive Orbitrap-MS and Trace GC-PolarisQ Mass were performed to analyze the metabolic features of BDT improving the state of PSHS. Combined with the experimental results of metabolomics and the predicted results of network pharmacology, the metabolic biological network was constructed to find the potential targets of BDT intervention on PSHS. Finally, A total of 22 differential metabolites have been identified in PSHS group. 15 plasma biomarkers were significantly regulated by BDT. The results indicated that the BDT decoction is of a significant therapeutic effect on the improvement of PSHS primarily through regulating pyruvate metabolism and phenylalanine metabolism. Moreover, it is possible for BDT to improve PSHS through the functional targets including GLO1, MAOA and MAOB, which are closely related to monoamine neurotransmitters. Here, these approaches provide a tractable, powerful tool for understanding the underlying mechanism elucidating of BDT for PSHS management.


Assuntos
Biomarcadores/metabolismo , Medicamentos de Ervas Chinesas/uso terapêutico , Redes e Vias Metabólicas/efeitos dos fármacos , Plasma/metabolismo , Adulto , Feminino , Nível de Saúde , Humanos , Masculino , Medicina Tradicional Chinesa/métodos , Saúde Mental , Metaboloma/efeitos dos fármacos , Metabolômica/métodos , Pessoa de Meia-Idade
8.
Chin Med ; 13: 54, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-30386417

RESUMO

BACKGROUND: Microbial fermentation has been widely applied in traditional Chinese medicine (TCM) for thousands of years in China. Various beneficial effects of fermentation for applications in TCM or herbals have been reported, such as enhanced anti-ovarian cancer, antioxidative activity, and neuroprotective effects. Ge-Gen-Qin-Lian decoction (GQD), a classic TCM formula, has been used to treat type 2 diabetes mellitus in China. In this study, GQD was fermented with Saccharomyces cerevisiae, and the antidiabetic activities and overall chemical profiles of raw and fermented GQD (FGQD) were systematically compared. METHODS: First, the antidiabetic effects of GQD and FGQD on high-fat diet and streptozotocin (STZ)-induced diabetic rats were compared. Then, high-performance liquid chromatography Q Exactive MS was applied for rapid characterization of the chemical components of GQD. Additionally, we proposed an integrated chromatographic technique based untargeted metabolomics identifying differential chemical markers between GQD and FGQD and targeted analysis determining the fermenting-induced quantitative variation tendencies of chemical marker strategy for overall chemical profiling of raw and fermented GQD. RESULTS: Both GQD and FGQD displayed effects against HFD and STZ-induced diabetes, and FGQD showed a better recovery trend associated with profound changes in the serum lipoprotein profile and body weight gain. In addition, 133 compounds were characterized from GQD. It was demonstrated that the integrated strategy holistically illuminated 30 chemical markers contributed to the separation of GQD and FGQD, and further elucidated the fermenting-induced chemical transformation mechanisms and inherent chemical connections of secondary metabolites. Although there were no new secondary metabolites in FGQD compared with GQD, the amounts of secondary metabolites, which were mostly deglycosylated, were redistributed in FGQD. CONCLUSION: The anti-diabetic activities of GQD could be improved by applying fermentation technology. Moreover, the proposed strategy could serve as a powerful tool for systematically exploring the chemical profiles of raw and fermented formulas.

9.
J Pharm Biomed Anal ; 138: 215-222, 2017 May 10.
Artigo em Inglês | MEDLINE | ID: mdl-28219798

RESUMO

Radix Bupleuri (RB), with a Chinese name Chaihu, is one of the most popular Traditional Chinese herbal drug. It can be baked with vinegar to afford vinegar-baked Radix Bupleuri (VBRB), which is used in Traditional Chinese Medicine (TCM) for liver diseases treatment. In the present study, nuclear magnetic resonance-based metabolomic approach was used to compare the liver protective effect of RB and two types of VBRBs, which were prepared by two kinds of vinegar. The contents of 14 metabolites in the liver of carbon tetrachloride (CCl4) treated mice were significantly altered in comparison with control group, and VBRB prepared by Shanxi vinegar showed best effect as revealed by the amount and regulatory degree of the perturbed metabolites. The metabolism pathways analysis showed that the liver protective effect was related with the energy metabolism, lipid metabolism, ketone body metabolism, glutathione metabolism, amino acids metabolism and nucleotide synthesis. The results presented here showed that metabolomic approach made it possible to disclose the subtle biological difference between two types of VBRB, which highlight the potential of metabolomic approach to quantitatively compare the pharmacological effect of the herbal drugs.


Assuntos
Ácido Acético/química , Bupleurum/química , Fígado/efeitos dos fármacos , Raízes de Plantas/química , Substâncias Protetoras/farmacologia , Aminoácidos/metabolismo , Animais , Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/farmacologia , Metabolismo Energético/efeitos dos fármacos , Feminino , Glutationa/metabolismo , Corpos Cetônicos/metabolismo , Metabolismo dos Lipídeos/efeitos dos fármacos , Fígado/metabolismo , Imageamento por Ressonância Magnética/métodos , Espectroscopia de Ressonância Magnética/métodos , Masculino , Medicina Tradicional Chinesa/métodos , Metabolômica/métodos , Camundongos , Nucleotídeos/metabolismo , Extratos Vegetais/química , Extratos Vegetais/farmacologia
10.
Yao Xue Xue Bao ; 52(2): 283-90, 2017 Feb.
Artigo em Chinês | MEDLINE | ID: mdl-29979520

RESUMO

The study aims to investigate the effective components of Semen Ziziphi Spinosae (SZR) in nourishing the heart and tranquilizing the mind. A method of ultra high liquid chromatography (UHPLC) coupled with Q Exactive high resolution mass spectrometry (HR-MS) was developed. Based on the UV spectra, retention time and MS spectra, 25 compounds of SZR extract were identified or tentatively characterized, including 12 flavonoids, 8 triterpenoids saponins, 2 fatty acid and 3 alakoids. The study illuminated the major chemical components. Twenty bioactive components were determined in rat urine after oral administration of SZR extract by "in vitro to in vivo" translation approach, including 16 prototype compounds and 4 metabolites. Spinosin, swertisin, jujuboside A and B were considered as the effective and active constituents in SZR of the sedative and hypnotic effects, which emodies characteristics of multiple components. It was beneficial exploration for searching the effective and active constituents of SZR in nourishing the heart and tranquilizing the mind.


Assuntos
Apigenina/farmacologia , Medicamentos de Ervas Chinesas/farmacologia , Flavonoides/farmacologia , Saponinas/farmacologia , Ziziphus/química , Animais , Cromatografia Líquida de Alta Pressão , Espectrometria de Massas , Ratos
11.
Zhongguo Zhong Yao Za Zhi ; 41(20): 3733-3740, 2016 Oct.
Artigo em Chinês | MEDLINE | ID: mdl-28929649

RESUMO

The agronomic traits (plant height, root diameter, root length, first lateral root height, lateral root amount, root weight) of 18 Polygala tenuifolia samples with different agronomic traits were analyzed, respectively. HPLC was used to analyze three main characteristic components including tenuifolin, polygalaxanthone Ⅲ, and 3,6'-disinapoyl sucrose. At last, the correlation between six agronomic traits and three main characteristic components were analyzed by scatter plot. We found no significant correlation between root diameter and three main characteristic components. There were no obvious correlations between tenuifolin and the remaining five agronomic traits. Short root length and first lateral root height as well as high lateral root amount resulted in high levels of polygalaxanthone Ⅲ in P. tenuifolia samples. High levels of 3,6'-disinapoyl sucrose were observed in P. tenuifolia samples with longer root. So, the current commodity criteria and traditional breeding of P. tenuifolia did not conform to pharmacopoeia standards, which excellent medicinal materials should have high contents of the main characteristic components. It was urgent to revise the current commodity criteria and breeding methods.


Assuntos
Melhoramento Vegetal , Polygala , Cromatografia Líquida de Alta Pressão , Ácidos Cumáricos/análise , Diterpenos do Tipo Caurano/análise , Medicamentos de Ervas Chinesas/química , Glicosídeos/análise , Raízes de Plantas/crescimento & desenvolvimento , Plantas Medicinais/química , Plantas Medicinais/crescimento & desenvolvimento , Polygala/química , Polygala/crescimento & desenvolvimento , Sacarose/análogos & derivados , Sacarose/análise , Xantonas/análise
12.
Molecules ; 20(6): 10065-81, 2015 May 29.
Artigo em Inglês | MEDLINE | ID: mdl-26035103

RESUMO

Forsythiae Fructus (FF), the dried fruit of Forsythia suspensa, has been widely used as a heat-clearing and detoxifying herbal medicine in China. Green FF (GF) and ripe FF (RF) are fruits of Forsythia suspensa at different maturity stages collected about a month apart. FF undergoes a complex series of physical and biochemical changes during fruit ripening. However, the clinical uses of GF and RF have not been distinguished to date. In order to comprehensively compare the chemical compositions of GF and RF, NMR-based metabolomics coupled with HPLC and UV spectrophotometry methods were adopted in this study. Furthermore, the in vitro antioxidant and antibacterial activities of 50% methanol extracts of GF and RF were also evaluated. A total of 27 metabolites were identified based on NMR data, and eight of them were found to be different between the GF and RF groups. The GF group contained higher levels of forsythoside A, forsythoside C, cornoside, rutin, phillyrin and gallic acid and lower levels of rengyol and ß-glucose compared with the RF group. The antioxidant activity of GF was higher than that of RF, but no significant difference was observed between the antibacterial activities of GF and RF. Given our results showing their distinct chemical compositions, we propose that NMR-based metabolic profiling can be used to discriminate between GF and RF. Differences in the chemical and biological activities of GF and RF, as well as their clinical efficacies in traditional Chinese medicine should be systematically investigated in future studies.


Assuntos
Antibacterianos/isolamento & purificação , Antioxidantes/isolamento & purificação , Medicamentos de Ervas Chinesas/isolamento & purificação , Forsythia/química , Frutas/química , Antibacterianos/farmacologia , Antioxidantes/farmacologia , Bacillus subtilis/efeitos dos fármacos , Bacillus subtilis/crescimento & desenvolvimento , Compostos de Bifenilo/antagonistas & inibidores , Compostos de Bifenilo/química , Cicloexanonas/isolamento & purificação , Medicamentos de Ervas Chinesas/farmacologia , Escherichia coli/efeitos dos fármacos , Escherichia coli/crescimento & desenvolvimento , Forsythia/crescimento & desenvolvimento , Forsythia/metabolismo , Frutas/crescimento & desenvolvimento , Frutas/metabolismo , Ácido Gálico/isolamento & purificação , Glucose/isolamento & purificação , Glucosídeos/isolamento & purificação , Glicosídeos/isolamento & purificação , Radical Hidroxila/antagonistas & inibidores , Radical Hidroxila/química , Picratos/antagonistas & inibidores , Picratos/química , Extratos Vegetais/química , Espectroscopia de Prótons por Ressonância Magnética , Pseudomonas aeruginosa/efeitos dos fármacos , Pseudomonas aeruginosa/crescimento & desenvolvimento , Rutina/isolamento & purificação , Staphylococcus aureus/efeitos dos fármacos , Staphylococcus aureus/crescimento & desenvolvimento
13.
Yao Xue Xue Bao ; 49(1): 89-94, 2014 Jan.
Artigo em Chinês | MEDLINE | ID: mdl-24783512

RESUMO

Water soluble extract (WSE) is an important index for the quality evaluation of Astragali Radix (AR). In this study, the WSE of the wild AR from Shanxi province (SX) and the cultivated AR from Gansu Province (GS) were compared. The WSEs of two types of AR were determined according to the appendix of Chinese pharmacopoeia. Then the WSEs were subjected to NMR analysis, and the obtained data were analyzed using HCA, PCA, OPLS-DA, microarray analysis, and Spearman rank analysis. In addition, the Pearson correlation of differential metabolites were also calculated. The results showed that the WSE content of GS-AR (37.80%) was higher than that of SX-AR (32.13%). The main constituent of WSE was sucrose, and other 18 compounds, including amino acids, organic acids, were also detected. Multivariate analysis revealed that SX-AR contained more choline, succinic acid, citric acid, glutamate, taurine and aspartate, while GS samples contained more sucrose, arginine and fumaric acid. In addition, the Pearson correlations between different metabolites of the two types of AR also showed apparent differences. The results suggested that the WSE of two types of AR differs not only in the content, but also in the chemical compositions. Thus, the cultivation way is important to the quality of AR. This study supplied a new method for the comparison of extract of herbal drugs.


Assuntos
Medicamentos de Ervas Chinesas/análise , Arginina/análise , Ácido Aspártico/análise , Astragalus propinquus , Colina/análise , Ácido Cítrico/análise , Medicamentos de Ervas Chinesas/química , Fumaratos/análise , Ácido Glutâmico/análise , Espectroscopia de Ressonância Magnética , Análise Multivariada , Filogeografia , Raízes de Plantas/química , Plantas Medicinais/química , Ácido Succínico/análise , Sacarose/análise , Taurina/análise
14.
J Pharm Biomed Anal ; 75: 158-64, 2013 Mar 05.
Artigo em Inglês | MEDLINE | ID: mdl-23261808

RESUMO

This study aims to find metabolites responsible for antitussive and expectorant activities of Tussilago farfara L. by metabolomic approach. Different parts (roots, flower buds, and leaves) of the title plant were analyzed systematically. The in vivo study revealed that the leaves and flower buds had strong antitussive and expectorant effects. Then ¹H NMR spectrometry together with principal component analysis (PCA) and partial least squares discriminant (PLS-DA) analysis were used to investigate the compounds responsible for the bioactivities. PCA was used to find the differential metabolites, while PLS-DA confirmed a strong correlation between the observed effects and the metabolic profiles of the plant. The result revealed that chlorogenic acid, 3,5-dicaffeoylquinic acid, and rutin may be closely related with the antitussive and expectorant activities. The overall results of this study confirm the benefits of using metabolic profiling for screening active principles in medicinal plants.


Assuntos
Antitussígenos/análise , Descoberta de Drogas , Medicamentos de Ervas Chinesas/química , Expectorantes/análise , Tussilago/química , Animais , Antitussígenos/farmacologia , Antitussígenos/uso terapêutico , Ácido Clorogênico/análogos & derivados , Ácido Clorogênico/análise , Ácido Clorogênico/farmacologia , Ácido Clorogênico/uso terapêutico , Medicamentos de Ervas Chinesas/farmacologia , Medicamentos de Ervas Chinesas/uso terapêutico , Etnofarmacologia , Expectorantes/farmacologia , Expectorantes/uso terapêutico , Feminino , Flores/química , Flores/crescimento & desenvolvimento , Flores/metabolismo , Espectroscopia de Ressonância Magnética , Masculino , Metabolômica/métodos , Camundongos , Camundongos Endogâmicos ICR , Folhas de Planta/química , Folhas de Planta/metabolismo , Raízes de Plantas/química , Raízes de Plantas/metabolismo , Distribuição Aleatória , Rutina/análise , Rutina/farmacologia , Rutina/uso terapêutico , Estatística como Assunto , Tussilago/crescimento & desenvolvimento , Tussilago/metabolismo
15.
J Ethnopharmacol ; 140(1): 83-90, 2012 Mar 06.
Artigo em Inglês | MEDLINE | ID: mdl-22210102

RESUMO

ETHNOPHARMACOLOGICAL RELEVANCE: Flower bud of Tussilago farfara L. is widely used for the treatment of cough, bronchitis and asthmatic disorders in the Traditional Chinese Medicine. However, due to the increasing demands, adulteration with rachis is frequently encountered in the marketplace. No report demonstrated the chemical and pharmacological differences between flower bud and rachis before. MATERIALS AND METHODS: The water extracts were orally administrated to mice. Ammonia induced mice coughing model was used to evaluate the antitussive activity. The expectorant activity was evaluated by volume of phenol red in mice's tracheas. Metabolites were identified directly from the crude extracts through 1D- and 2D-NMR spectra. A metabolic profiling carried out by (1)H NMR spectroscopy and multivariate data analysis was applied to crude extracts from flower bud and rachis. RESULTS: Flower bud significantly lengthened the latent period of cough, decreased cough frequency caused by ammonia and enhanced tracheal phenol red output in expectorant evaluation. Principal component analysis (PCA) yielded good separation between flower bud and rachis, and corresponding loading plot showed that the phenolic compounds, organic acid, sugar, amino acid, terpene and sterol contributed to the discrimination. CONCLUSIONS: These findings provide pharmacological and chemical evidence that only flower bud can be used as the antitussive and expectorant herbal drug. The high concentration of chlorogenic acid, 3,5-dicaffeoylquinic acid, rutin in flower buds may be related with the antitussive and expectorant effects of Flos Farfara. To guarantee the clinical effect, rachis should be picked out before use.


Assuntos
Antitussígenos/uso terapêutico , Contaminação de Medicamentos , Expectorantes/uso terapêutico , Flores/química , Fitoterapia , Caules de Planta/química , Tussilago/química , Amônia , Animais , Antitussígenos/farmacologia , Ácido Clorogênico/análogos & derivados , Ácido Clorogênico/farmacologia , Ácido Clorogênico/uso terapêutico , Tosse/induzido quimicamente , Tosse/tratamento farmacológico , Modelos Animais de Doenças , Medicamentos de Ervas Chinesas/farmacologia , Medicamentos de Ervas Chinesas/uso terapêutico , Expectorantes/farmacologia , Feminino , Espectroscopia de Ressonância Magnética , Masculino , Metaboloma , Metabolômica , Camundongos , Camundongos Endogâmicos ICR , Análise Multivariada , Fenolsulfonaftaleína/metabolismo , Análise de Componente Principal , Rutina/farmacologia , Rutina/uso terapêutico , Índice de Gravidade de Doença , Traqueia/metabolismo , Tussilago/metabolismo
16.
Environ Sci Technol ; 44(1): 426-31, 2010 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-19950921

RESUMO

In order to facilitate the removal of elemental mercury (Hg(0)) from coal-fired flue gas, catalytic oxidation of Hg(0) with manganese oxides supported on inert alumina (alpha-Al2O3) was investigated at lower temperatures (373-473 K). To improve the catalytic activity and the sulfur-tolerance of the catalysts at lower temperatures, several metal elements were employed as dopants to modify the catalyst of Mn/alpha-Al2O3. The best performance among the tested elements was achieved with molybdenum (Mo) as the dopant in the catalysts. It can work even better than the noble metal catalyst Pd/alpha-Al2O3. Additionally, the Mo doped catalyst displayed excellent sulfur-tolerance performance at lower temperatures, and the catalytic oxidation efficiency for Mo(0.03)-Mn/alpha-Al2O3 was over 95% in the presence of 500 ppm SO2 versus only about 48% for the unmodified catalyst. The apparent catalytic reaction rate constant increased by approximately 5.5 times at 423 K. In addition, the possible mechanisms involved in Hg(0) oxidation and the reaction with the Mo modified catalyst have been discussed.


Assuntos
Óxido de Alumínio/química , Temperatura Baixa , Compostos de Manganês/química , Mercúrio/química , Óxidos/química , Catálise , Oxirredução
17.
Zhongguo Zhong Xi Yi Jie He Za Zhi ; 27(7): 644-6, 2007 Jul.
Artigo em Chinês | MEDLINE | ID: mdl-17717930

RESUMO

OBJECTIVE: To observe the effects of Xiaobai Decoction (XBD) in reducing albuminuria and shortening the duration of albuminuria in patients with pregnancy-induced hypertension syndrome (PIH) in puerperium. METHODS: Eighty-five patients were given the conventional treatment with magnesium sulfate for relieving convulsion and lowering hypertension, at the same time, the treated group was given XBD additionally with the modification according to the symptoms. The treatment course for both groups was 14 days. Routine test of midstream urine was performed every three days, and 24 h-urinary protein was measured every week. RESULTS: The therapeutic effect on the 43 patients of the treated group was markedly effective in 11 (25.6 % ), effective in 26 (60.4%) and ineffective in 6 cases (14.0%), the total effective rate being 86.0%; while in the 42 patients of the control group, the corresponding numbers were 5 (11.9%), 21 (50.0%), 16 (38.1%) and 61.9%, respectively, the efficacy of the former was significantly better (P < 0.05). CONCLUSION: XBD is a simple, safe and effective drug for reducing albuminuria and shortening the duration of albuminuria in puerperium of PIH patients.


Assuntos
Albuminúria/tratamento farmacológico , Medicamentos de Ervas Chinesas/uso terapêutico , Hipertensão Induzida pela Gravidez/tratamento farmacológico , Fitoterapia , Adulto , Feminino , Humanos , Período Pós-Parto , Gravidez , Resultado do Tratamento , Adulto Jovem
18.
Huan Jing Ke Xue ; 26(2): 163-6, 2005 Mar.
Artigo em Chinês | MEDLINE | ID: mdl-16004321

RESUMO

The objective of this paper is to study the antagonisms between selenium and mercury and the effect of different species mercury on the brain injury. The expression of c-fos mRNA and c-FOS protein in rat brain induced by Hg-contaminated rice was observed by using reverse transcriptions polymerase chain reaction (RT-PCR) and immunocytochemical methods. The results show the Hg-contaminated rice induced significantly the expression of c-fos mRNA and c-FOS protein; selenium could antagonize mercury accumulative level in brain. Antagonistic effects of selenium on the expression of c-fos included by mercury and the molecule mechanism of the antagonisms between selenium and mercury was probed, too.


Assuntos
Encéfalo/metabolismo , Contaminação de Alimentos , Mercúrio/antagonistas & inibidores , Proteínas Proto-Oncogênicas c-fos/biossíntese , Selênio/farmacologia , Animais , Mercúrio/análise , Oryza , Proteínas Proto-Oncogênicas c-fos/genética , RNA Mensageiro/biossíntese , RNA Mensageiro/genética , Ratos , Ratos Sprague-Dawley
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