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1.
Molecules ; 27(13)2022 Jun 24.
Artigo em Inglês | MEDLINE | ID: mdl-35807320

RESUMO

Phytotherapy offers obvious advantages in the intervention of Coronary Artery Disease (CAD), but it is difficult to clarify the working mechanisms of the medicinal materials it uses. DGS is a natural vasoprotective combination that was screened out in our previous research, yet its potential components and mechanisms are unknown. Therefore, in this study, HPLC-MS and network pharmacology were employed to identify the active components and key signaling pathways of DGS. Transgenic zebrafish and HUVECs cell assays were used to evaluate the effectiveness of DGS. A total of 37 potentially active compounds were identified that interacted with 112 potential targets of CAD. Furthermore, PI3K-Akt, MAPK, relaxin, VEGF, and other signal pathways were determined to be the most promising DGS-mediated pathways. NO kit, ELISA, and Western blot results showed that DGS significantly promoted NO and VEGFA secretion via the upregulation of VEGFR2 expression and the phosphorylation of Akt, Erk1/2, and eNOS to cause angiogenesis and vasodilation. The result of dynamics molecular docking indicated that Salvianolic acid C may be a key active component of DGS in the treatment of CAD. In conclusion, this study has shed light on the network molecular mechanism of DGS for the intervention of CAD using a network pharmacology-driven strategy for the first time to aid in the intervention of CAD.


Assuntos
Doença da Artéria Coronariana , Medicamentos de Ervas Chinesas , Animais , Doença da Artéria Coronariana/tratamento farmacológico , Simulação de Acoplamento Molecular , Farmacologia em Rede , Fosfatidilinositol 3-Quinases/metabolismo , Fitoterapia , Proteínas Proto-Oncogênicas c-akt/metabolismo , Peixe-Zebra/metabolismo
2.
Brain Behav ; 12(7): e2636, 2022 07.
Artigo em Inglês | MEDLINE | ID: mdl-35674485

RESUMO

OBJECTIVE: To explore the effects of the autonomous sensory meridian response (ASMR) on the psychological cravings and anxiety of women compulsorily isolated for detoxification. METHOD: Around 122 women were recruited in a female drug detoxification center. Except for the 12-week training of ASMR, the experimental conditions of the experimental group (n = 60) were the same as those of the control group (n = 62). The addiction Stroop task was used to assess the level of psychological cravings and the State-Trait Anxiety Inventory was used to assess the level of anxiety. RESULTS: After the training, the decrease in state anxiety of the experimental group was larger than that of the control group, and the reaction time of the experimental group in the Stroop was also significantly lower than before the training. CONCLUSIONS: ASMR could thus reduce to a certain extent the state anxiety and attentional bias for drug-related clues under signaling psychological cravings among women compulsorily isolated for detoxification. HIGHLIGHTS: Intervention effects on psychological cravings and anxiety of women isolated for detoxification Basis for role of ASMR in regulating psychological cravings and anxiety in forced abstainers ASMR intervention reduced forced abstainers' attentional bias to drug-related clues.


Assuntos
Fissura , Meridianos , Ansiedade/psicologia , Ansiedade/terapia , Transtornos de Ansiedade , Feminino , Humanos , Teste de Stroop
3.
Food Chem Toxicol ; 119: 445-456, 2018 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-29203196

RESUMO

An-Gong-Niu-Huang Wan (AGNH) is a famous traditional Chinese medicine prescription that contains cinnabar (HgS) and realgar (As2S2); the clinical practice of AGNH is hindered because both mercury and arsenic are hepatorenal toxic metalloids. It is noted that the cinnabar and realgar in AGNH are not used alone, but rather combined with different kinds of medicinal herbs as a formula to use. In this study, we evaluated the hepatorenal protective effects of the medicinal herbs in AGNH after co-exposure to cinnabar and realgar for 4 weeks in mice. The combination of the herbs in AGNH alleviated cinnabar and realgar-induced histopathological alterations and oxidative stress in the liver and kidneys. Furthermore, in cinnabar and realgar-treated mice, the increased expression levels of inducible enzymes (COX-2 and iNOS) and proinflammatory mediators (IL-1ß, TNF-α, PGE2 and NO) in the liver and kidneys were consistently down-regulated when medicinal herbs were combined as a formula. We also found that the herbs could reduce the inflammatory response by the inactivation of the MAPK and PI3K/Akt signaling pathway and the resulting blockade of NF-κB activation. Overall, our data indicates that the herbal medicines in AGNH attenuate cinnabar and realgar-induced hepatorenal toxicity by improving antioxidant competence and suppressing inflammatory injury.


Assuntos
Medicamentos de Ervas Chinesas/farmacologia , Medicina Herbária , Inflamação/prevenção & controle , Compostos de Mercúrio/toxicidade , Estresse Oxidativo/efeitos dos fármacos , Sulfetos/toxicidade , Animais , Antioxidantes/farmacologia , Arsenicais , Citocinas/metabolismo , Feminino , Inativação Metabólica , Mediadores da Inflamação/metabolismo , Rim/efeitos dos fármacos , Rim/metabolismo , Rim/patologia , Fígado/efeitos dos fármacos , Fígado/metabolismo , Fígado/patologia , Sistema de Sinalização das MAP Quinases , Masculino , Camundongos , NF-kappa B/metabolismo , Fosfatidilinositol 3-Quinases/metabolismo , Fosforilação , Proteínas Proto-Oncogênicas c-akt/metabolismo , Transdução de Sinais/efeitos dos fármacos
4.
Acta Pharmacol Sin ; 39(6): 975-987, 2018 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-28858293

RESUMO

Guanxinjing capsules (GXJCs) are used in traditional Chinese medicine as a common therapy for coronary heart disease (CHD) complicated with depression. In this study, we aimed to identify the main active constituents in GXJCs and to investigate the mechanisms of GXJC action on CHD complicated with depression. The chemical constituent profile of the GXJC was identified by UHPLC-LTQ-Orbitrap assay, and oral bioavailability was evaluated to screen the GXJC drug-like chemical constituents. A total of 16 GXJC drug-like chemical constituents were identified. Then, putative targets of the GXJC drug-like chemical constituents were predicted using MedChem Studio, with 870 genes found to be the putative targets of these molecules. After that, a GXJC putative target-known CHD/depression therapeutic target network was constructed, and four topological features, including degree, betweenness, closeness and K-coreness, were calculated. According to the topological feature values of the GXJC putative targets, 14 main active constituents were identified because their corresponding putative targets had topological importance in the GXJC putative target-known CHD/depression therapeutic target network, which were defined as the candidate targets of GXJC against CHD complicated with depression. Functionally, these candidate targets were significantly involved in several CHD/depression-related pathways, including repairing pathological vascular changes, reducing platelet aggregation and inflammation, and affecting patient depression. This study identified a list of main active constituents of GXJC acting on CHD complicated with depression using an integrative pharmacology-based approach that combined active chemical constituent identification, drug target prediction and network analysis. This method may offer an efficient way to understand the pharmacological mechanisms of traditional Chinese medicine prescriptions.


Assuntos
Doença das Coronárias/tratamento farmacológico , Depressão/tratamento farmacológico , Medicamentos de Ervas Chinesas/uso terapêutico , Medicina Tradicional Chinesa/métodos , Transdução de Sinais/efeitos dos fármacos , Biologia de Sistemas/métodos , Administração Oral , Disponibilidade Biológica , Cápsulas , Cromatografia Líquida de Alta Pressão , Doença das Coronárias/complicações , Doença das Coronárias/metabolismo , Doença das Coronárias/psicologia , Depressão/etiologia , Depressão/metabolismo , Depressão/psicologia , Medicamentos de Ervas Chinesas/administração & dosagem , Medicamentos de Ervas Chinesas/efeitos adversos , Medicamentos de Ervas Chinesas/farmacocinética , Humanos , Mapas de Interação de Proteínas , Espectrometria de Massas por Ionização por Electrospray , Espectrofotometria Ultravioleta , Resultado do Tratamento
5.
Zhongguo Zhong Yao Za Zhi ; 40(7): 1334-41, 2015 Apr.
Artigo em Chinês | MEDLINE | ID: mdl-26281558

RESUMO

OBJECTIVE: The multiple levels fragmentations of five furocoumarine (psoralen, xanthotoxin, bergapten, oxypeucedanin, and byakangelicol) in Angelica dahurica have been demonstrated using LTQ-Orbitrap mass spectrometry with high resolution and high mass accuracy to discover the possible,fragmentation regularity. METHOD: Duringcollsion-induced dissociation (CID), the MS(n) data of the five compoundswhich were gained in the positive ion mode at 35ev collision energy by direct injection syrings method were analyzed using Xcalibar 2.0 Software to infer the formula of these fragmentations. RESULT: The results indicated that the five compounds have similar fragmentation process with CO meutral lost at C5,C8-subsituents and furan ring, meanwhile the meutralloss of CO2 occurred easily at lactone group. CONCLUSION: This method is helpful in identifying the structures of other furocoumarinein Angelica dahuricaand their metabolites in vivo.


Assuntos
Cumarínicos/química , Medicamentos de Ervas Chinesas/química , Espectrometria de Massas/métodos , Angelica/química , Fenômenos Químicos , Cumarínicos/isolamento & purificação , Medicamentos de Ervas Chinesas/isolamento & purificação , Estrutura Molecular
6.
Zhongguo Zhong Yao Za Zhi ; 40(7): 1347-54, 2015 Apr.
Artigo em Chinês | MEDLINE | ID: mdl-26281560

RESUMO

The UHPLC-LTQ-Orbitrap high resolution mass spectrometer was used to explore the chemical compositions in safflower. The rapid separation of the compositions was conducted by the UHPLC, following by high resolution full scan and MS2 scan, under the positive and negative ion mode. The chemical formula of compositions were deduced by full scan data in less than 5, then the potential structures were confirmed by the MS2 data. Forty-nine compounds were detected, of which 26 was identified, and 5 compounds was validated by the standard substances.


Assuntos
Carthamus tinctorius/química , Medicamentos de Ervas Chinesas/química , Cromatografia Líquida de Alta Pressão/métodos , Medicamentos de Ervas Chinesas/isolamento & purificação , Estrutura Molecular , Espectrometria de Massas em Tandem/métodos
7.
Acta Pharmacol Sin ; 36(6): 724-33, 2015 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-25937634

RESUMO

AIM: Huanglian-jie-du decoction (HLJDD) is an important multiherb remedy in TCM, which is recently demonstrated to be effective to treat ischemic stroke. Here, we aimed to investigate the pharmacological mechanisms of HLJDD in the treatment of ischemic stroke using systems biology approaches. METHODS: Putative targets of HLJDD were predicted using MetaDrug. An interaction network of putative HLJDD targets and known therapeutic targets for the treatment of ischemic stroke was then constructed, and candidate HLJDD targets were identified by calculating topological features, including 'Degree', 'Node-betweenness', 'Closeness', and 'K-coreness'. The binding efficiencies of the candidate HLJDD targets with the corresponding compositive compounds were further validated by a molecular docking simulation. RESULTS: A total of 809 putative targets were obtained for 168 compositive compounds in HLJDD. Additionally, 39 putative targets were common to all four herbs of HLJDD. Next, 49 major nodes were identified as candidate HLJDD targets due to their network topological importance. The enrichment analysis based on the Gene Ontology (GO) annotation system and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway demonstrated that candidate HLJDD targets were more frequently involved in G-protein-coupled receptor signaling pathways, neuroactive ligand-receptor interactions and gap junctions, which all played important roles in the progression of ischemic stroke. Finally, the molecular docking simulation showed that 170 pairs of chemical components and candidate HLJDD targets had strong binding efficiencies. CONCLUSION: This study has developed for the first time a comprehensive systems approach integrating drug target prediction, network analysis and molecular docking simulation to reveal the relationships between the herbs contained in HLJDD and their putative targets and ischemic stroke-related pathways.


Assuntos
Isquemia Encefálica/tratamento farmacológico , Medicamentos de Ervas Chinesas/uso terapêutico , Medicina Tradicional Chinesa/métodos , Acidente Vascular Cerebral/tratamento farmacológico , Biologia de Sistemas/métodos , Animais , Isquemia Encefálica/diagnóstico , Isquemia Encefálica/genética , Isquemia Encefálica/metabolismo , Mineração de Dados , Bases de Dados Genéticas , Combinação de Medicamentos , Regulação da Expressão Gênica , Redes Reguladoras de Genes , Genômica , Humanos , Simulação de Acoplamento Molecular , Mapas de Interação de Proteínas , Reprodutibilidade dos Testes , Transdução de Sinais/efeitos dos fármacos , Acidente Vascular Cerebral/diagnóstico , Acidente Vascular Cerebral/metabolismo , Integração de Sistemas , Resultado do Tratamento , Fluxo de Trabalho
8.
Zhongguo Zhong Yao Za Zhi ; 39(16): 3148-51, 2014 Aug.
Artigo em Chinês | MEDLINE | ID: mdl-25509304

RESUMO

Recently, compound Ejiao slurry (FFEJJ) had been applied to treat cancer patients in clinic, with obvious curative effect. In this study, data and literatures were collected from the TCM chemical component database to establish the chemical component database of FFEJJ. Afterwards, MetaDrug software was used to predict the targets of FFEJJ and obtain the compound-target network. Next, the compound-target network was compared and analyzed to obtain the "compound-target-tumor target" heterogeneous network. Besides, further analysis was made on gene functions and metabolic pathway. The results indicated that FFEJJ could directly resist tumors by regulating cancer cell differentiation, growth, proliferation and apoptosis, and show an adjuvant therapeutic effect by enriching the blood and increasing the immunity.


Assuntos
Adjuvantes Farmacêuticos/uso terapêutico , Antineoplásicos/uso terapêutico , Medicamentos de Ervas Chinesas/uso terapêutico , Redes Reguladoras de Genes/efeitos dos fármacos , Neoplasias/tratamento farmacológico , Neoplasias/genética , Humanos , Terapia de Alvo Molecular , Neoplasias/metabolismo
9.
Zhongguo Zhong Yao Za Zhi ; 38(6): 889-93, 2013 Mar.
Artigo em Chinês | MEDLINE | ID: mdl-23717974

RESUMO

OBJECTIVE: To study the absorption characteristics of four components from Naoxintong capsule in intestines. METHOD: In vitro everted gut sac method was adopted for preparing the intestinal absorption solution of Naoxintong capsule. UPLC was used to detect the content of chemical components in different intestinal segments, and comparing the results with the absorption of chemical components of Naoxintong capsule in each intestinal segment. The time-accumulative absorption curve was drawn to observe the changes in the accumulative absorption concentration with time. RESULT: Four ingredients of Naoxintong capsule can be detected in intestinal absorption solution, they are ferulic acid, paeoniflorin, salvianolic acid B and hydroxysafflor yellow A. Specifically, the accumulative absorption concentrations of ferulic acid, salvianolic acid B and paeoniflorin in ileum and rear jejunum segments were higher than that in front and middle jejunum segments; the absorption of ferulic acid, paeoniflorin, salvianolic acid B and hydroxysafflor yellow A did not reach saturated conditions in 3 hours. CONCLUSION: Ferulic acid, paeoniflorin, salvianolic acid B and hydroxysafflor yellow A are absorbed in the whole intestine. Ferulic acid, paeoniflorin and salvianolic acid B may be absorbed in specific segments.


Assuntos
Medicamentos de Ervas Chinesas/química , Medicamentos de Ervas Chinesas/metabolismo , Absorção Intestinal , Animais , Cápsulas , Masculino , Ratos , Ratos Sprague-Dawley , Reprodutibilidade dos Testes
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