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1.
Article in Chinese | WPRIM | ID: wpr-928083

ABSTRACT

Zhachong Shisanwei Pills, composed of 13 Chinese medicinal materials, are used for treating the diseases such as hemiplegia, pain of muscles and bones, rheumatism, and joint pain. The chemical composition and pharmacodynamics of Zhachong Shisanwei Pills have not been reported. Ultra-performance liquid chromatography/quadrupole-time-of-flight tandem mass spectrometry(UPLC-Q-TOF-MS/MS) was employed to quickly identify the chemical components of Zhachong Shisanwei Pills, which was performed with Shim-pack GIST C_(18) column(4.6 mm×150 mm, 5 μm). The gradient elution was conducted with methanol-0.05% acetic acid as the mobile phase. Electrospray ionization mass spectrometry(ESI-MS) was carried out in both positive and negative ion modes. The compounds were identidied based on accurate relative molecular weight, fragment ion species, and the MS data of reference substances and in literature. In conclusion, a total of 98 compounds were identified, including 19 organic acids, 36 flavonoids, 13 volatile oils, 8 tannins, 5 2-(2-phenylethyl)chromones, 5 amino acids, 3 sesquiterpenoids, 3 alkaloids, and 2 other compounds. This study characte-rized the chemical components of Zhachong Shisanwei Pills rapidly for the first time, laying a foundation for further research on the pharmacodynamic material basis and quality evaluation.


Subject(s)
Chromatography, High Pressure Liquid , Chromatography, Liquid , Drugs, Chinese Herbal/chemistry , Spectrometry, Mass, Electrospray Ionization , Tandem Mass Spectrometry
2.
Article in Chinese | WPRIM | ID: wpr-928064

ABSTRACT

This study explored the anticoagulant material basis and mechanism of Trichosanthis Semen and its shell and kernel based on spectrum-effect relationship-integrated molecular docking. High performance liquid chromatography(HPLC) fingerprints of Trichosanthis Semen and its shell and kernel were established. Prothrombin time(PT) and activated partial thromboplastin time(APTT) in mice in the low-and high-dose(5, 30 g·kg~(-1), respectively) Trichosanthis Semen, the shell, and kernel groups were determined as the coagulation markers. The spectrum-effect relationship and anticoagulant material basis of Trichosanthis Semen and its shell and kernel were analyzed with mean value calculation method of Deng's correlation degree(MATLAB) and the common effective component cluster was obtained. Then the common targets of the component cluster and coagulation were retrieved from TCMSP, Swiss-TargetPrediction, GenCLiP3, GeneCards, and DAVID, followed by Gene Ontology(GO) term enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway enrichment of the targets. The main anticoagulant molecular mechanism of the component cluster was verified by SYBYL-X 2.1.1. The spectrum-effect relationship of Trichosanthis Semen and its shell and kernel was in positive correlation with the dosage. The contribution of each component to anticoagulation was not the same, suggesting that the material basis for anticoagulation was different, but they have common effective components(i.e. common material basis), such as adenine(peak 3), uracil(peak 4), hypoxanthine(peak 6), xanthine(peak 9), and adenosine(peak 11). Network pharmacology showed that these components can act on multiple target proteins such as NOS3, KDR, and PTGS2, and exert anticoagulant effect through multiple pathways such as VEGF signaling pathway. They involved the biological functions such as proteolysis, cell component such as cytosol, and molecular functions. The results of molecular docking showed that the binding free energy of these components with NOS3(PDB ID: 1 D0 C), KDR(PDB ID: 5 AMN), and PTGS2(PDB ID: 4 COX) was ≤-5 kJ·mol~(-1), and the docking conformations were stable. Spectrum-effect relationship-integrated molecular docking can be used for the optimization, virtual screening, and verification of complex chemical and biological information of Chinese medicine. Trichosanthis Semen and its shell and kernel have the common material basis for anticoagulation and they exert the anticoagulant through multiple targets and pathways.


Subject(s)
Animals , Anticoagulants/pharmacology , Drugs, Chinese Herbal/pharmacology , Gene Ontology , Mice , Molecular Docking Simulation , Semen
3.
Article in Chinese | WPRIM | ID: wpr-928027

ABSTRACT

This study established a mouse model of ulcerative colitis and explored the serum transitional components of Gegen Qinlian Decoction by UHPLC-Q-Orbitrap-MS. Based on the exact relative molecular weight and MS/MS spectrum, 55 prototype components and 59 metabolites were identified from the model group, while 18 prototype components and 35 metabolites from the control group. The prototype components in serum were mainly flavonoids and the characteristic components of the model group were alkaloids. Glucuronidation, sulfonation, and glycosylation have been confirmed to be the main metabolic types in vivo. The results of comparative analysis of differences indicated that puerarin, baicalin, wogonoside, wogonin, chrysin, oroxylin A, berberine, berberrubine, and palmatine were the characteristic components in model state, which at the same time, were confirmed by pharmacological studies to be the serum pharmacodynamic material basis of Gegen Qinlian Decoction in the treatment of ulcerative colitis. This study has provided reference for explaining the metabolic transformation pattern and mechanism of action of Gegen Qinlian Decoction in vivo.


Subject(s)
Alkaloids , Animals , Chromatography, High Pressure Liquid/methods , Colitis, Ulcerative/drug therapy , Drugs, Chinese Herbal , Mice , Tandem Mass Spectrometry/methods
4.
Article in Chinese | WPRIM | ID: wpr-927978

ABSTRACT

Syndrome is a nonlinear "internal-excess external-deficiency", "dynamic spatial-temporal" and "multi-dimensional" complex system and thus only by using a versatile method can the connotation be expounded. Metabonomics, which is dynamic, holistic, and systematic, is consistent with the overall mode of traditional Chinese medicine(TCM)(holistic view and syndrome differentiation and treatment). Therefore, metabonomics is very important for the research on the differentiation, material basis, and metabolic pathways of syndromes, and efficacy on syndromes. This study reviewed the application of metabonomics in the study of TCM syndromes in recent years, which is expected to objectify the research on TCM syndromes.


Subject(s)
Drugs, Chinese Herbal , Humans , Medicine, Chinese Traditional , Metabolomics , Syndrome
5.
Article in Chinese | WPRIM | ID: wpr-940820

ABSTRACT

Decoction is a traditional clinical way of traditional Chinese medicine (TCM) compound. A series of complex physical and chemical changes are often involved in the process of decoction, which presents a mixed-phase system. In most studies on the TCM compound decoction, it has always focused on the amounts of chemical substances in decoction, while the phase properties and existence forms of these components are neglected. Most of the chemical components exist in the mixed-phase system as molecules, ions or other particles. According to the particle size of the contained particles, the differences among the phases, including true solution phase, colloidal phase, suspended phase and precipitated phase, lead to their differences in pharmaceutical and biological effects. Based on the above research background, this paper takes the phase state differences of decoction as the breakthrough point, and systematically reviews the physicochemical properties, the physical structures of the active components and the biological effects of the decoction caused by the phase state differences. The phase state differences of TCM compound decoction have been found to be closely related to their efficacy, which might be a good perspective to investigate the possible mechanism. It might provide a beneficial reference for the exploration of related basic research on TCM compounds.

6.
Article in Chinese | WPRIM | ID: wpr-940671

ABSTRACT

ObjectiveTo explore the material basis for the difference in the efficacy of different parts of mulberry based on molecular connectivity index (MCI). MethodBy referring to the relevant literature at home and abroad and traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) database, the chemical composition database of mulberry-source medicinal materials was established. Venn analysis was carried out on the components among mulberry-source medicinal materials. The components in the database were divided into 10 categories, and the composition information was analyzed. According to MCI value, all components of mulberry-source medicinal materials were divided into different groups. The angle cosine method was used to calculate the MCI similarity. The average MCI values of the common component group from 0-8 orders and CI of mulberry-source medicinal materials were calculated. ResultThe components with high similarity such as (+)-cycloolivil, 1′-methoxy-2′-hydroxydihydromollugin, kuwanon, morusin and 1-deoxynojirimycin were selected as potential pharmacodynamic components. Mulberry-source medicinal materials could be divided into five component groups. The similarity between component groups and total components was 0.760-0.999, and the similarity between component groups was 0.248-0.999. In Mori Ramulus, Mori Folium, Mori Cortex and Mori Fructus, the average MCI values of their flavonoids from 0-8 orders were 4.57, 4.59, 6.41, 4.24, respectively. The average MCI values of alkaloids from 0-8 orders were 2.65, 4.55, 2.58, 2.78, respectively. The average CI values from 0-8 orders were 5.51, 5.49, 5.44 and 2.88, respectively. ConclusionIt is preliminarily concluded that there are differences in the flavonoids and pathways of hypoglycemic effects between Mori Cortex and the other three mulberry-source medicinal materials. The MCI values of alkaloids from 0-8 orders in Mori Folium and Mori Fructus were higher, but their inhibitory activity of α-glucosidase were lower than those of Mori Ramulus and Mori Cortex. The structural characteristics of the total components of Mori Fructus represented by CI were quite different from the other three mulberry-source medicinal materials.

7.
Article in Chinese | WPRIM | ID: wpr-940395

ABSTRACT

ObjectiveTo explore the pharmacodynamic ingredients of Zhenqi Fuzheng granules (ZFG) for immunomodulatory through spectrum-effect relationship analysis, which provides experimental basis for improving the quality standard of ZFG. MethodEighteen batches of ZFG from six manufacturers were collected for analysis. The fingerprints were established by high performance liquid chromatography (HPLC). Acetonitrile (A)-0.1% formic acid aqueous solution (B) were adopted as the mobile phase with gradient elution (0-15 min, 5%A; 15-23 min, 5%-8%A; 23-30 min, 8%-11%A; 30-45 min, 11%-18%A; 45-60 min, 18%-21%A; 60-67 min, 21%-23%A; 67-90 min, 23%-37%A), the detection wavelength was 220 nm. Chemometric analysis such as similarity analysis and hierarchical cluster analysis (HCA) were subsequently used to analyze the similarities and chemical differences among these samples. A cyclophosphamide-induced immunodeficiency mouse model was used to evaluate the immune-enhancing effects of the products from different manufacturers. The spectrum-effect relationship between HPLC fingerprints and the immunomodulatory effects was examined using Spearman bivariate correlation analysis. HPLC coupled with mass spectrometry (HPLC-MSn) was used to identify the spectrum-effect related peaks with electrospray ionization, positive and negative ion modes, and scanning range of m/z 100-1 500. ResultThe HPLC fingerprint of ZFG was established, and twenty peaks with good resolution were selected as common peaks. The results of quality analysis and pharmacodynamic test showed there were significant differences in both ingredients content and immune-enhancing effects of ZFG from different manufacturers. Through spectrum-effect relationship study, twelve peaks were screened as bioactive ingredients peaks. Thereafter, eight peaks among them were subsequently identified by HPLC-MSn. They were salidroside (peak 2), echinacoside (peak 5), calycosin-7-glucoside (peak 6), isomer of specnuezhenide (peak 7), isonuezhenide (peak 9), calycosin (peak 11), nuezhenide G13 or oleonuezhenide (peak 14), and formononetin (peak 18), respectively. ConclusionThere are differences in quality and efficacy of ZFG produced by different manufacturers. Through spectrum-effect relationship analysis, the medicinal ingredients of ZFG for immune-enhancing effects are screened, which can provide reference for the improvement of its quality standard.

8.
Article in Chinese | WPRIM | ID: wpr-888010

ABSTRACT

This study explores the emulsifying material basis of Angelicae Sinensis Radix volatile oil (ASRVO) based on partial least squares (PLS) method and hydrophile-lipophile balance (HLB) value.The turbidity of ASRVO emulsion samples from Gansu,Yunnan,and Qinghai was determined and the chemical components in the emulsion were analyzed by GC-MS.The PLS model was established with the chemical components as the independent variable and the turbidity as the dependent variable and evaluated with indexes R~2X and R~2Y.The chemical components which were in positive correlation with the turbidity were selected and the HLB values were calculated to determine the emulsification material basis of ASRVO.The PLS models for the 81 emulsion samples had high R~2X and R~2Y values,which showed good fitting ability.Seven chemical components,2-methoxy-4-vinylphenol,trans-ligustilide,3-butylidene-1(3H)-isobenzofuranone,dodecane,1-methyl-4-(1-methylethylidene)-cyclohexene,trans-beta-ocimene,and decane,had positive correlation with turbidity.Particularly,the HLB value of 2-methoxy-4-vinylphenol was 4.4,which was the HLB range of surfactants to be emulsifiers and 2-methoxy-4-vinylphenol was positively correlated with turbidity of the ASRVO emulsion samples from the main producing area.Therefore,2-methoxy-4-vinylphenol was the emulsifying material basis of ASRVO.The selected emulsifying substances can lay a foundation for exploring the emulsification mechanism and demulsification solution of ASRVO.


Subject(s)
China , Emulsions , Least-Squares Analysis , Oils, Volatile , Surface-Active Agents
9.
Acta Pharmaceutica Sinica ; (12): 2093-2101, 2021.
Article in Chinese | WPRIM | ID: wpr-887058

ABSTRACT

At present, the research of Moutan cortex carbonisata (MCC) mainly focuses on the changes of chemical composition before and after charcoal production, and there is a lack of material basic research directly related to the efficacy at home and abroad. In this study, Moutan cortex, as a precursor, and was calcined to MCC at high temperature. The Moutan cortex carbonisata nano-components (MCC-NCs) were extracted and separated from MCC to explore its cooling-blood and hemostatic effects. In the experiment, the MCC was calcined at a high temperature in a muffle furnace (350 ℃, 1 h), and then MCC-NCs were extracted for MCC, and characterized by transmission electron microscopy and UV-vis absorption spectroscopy, fluorescence spectroscopy, Fourier transform infrared spectroscopy and X-ray photoelectron spectroscopy. In addition, the study evaluated the blood-cooling and hemostatic effects of MCC-NCs. The results showed that MCC-NCs have a size distribution of 0.80-2.8 nm, a lattice spacing of 0.26 nm. MCC-NCs are mainly composed of C, O and N elements and have abundant surface functional groups such as OH, C=O, C-N and C=C. The fluorescence yield of MCC-NCs was 7.18%. The experiments complied with the Animal Ethics Committee of Beijing University of Chinese Medicine. The result indicated that pretreatment MCC-NCs can significantly (P < 0.05) reduce the high, medium, and low viscosity of whole blood and plasma viscosity, and reduce hematocrit, red blood cell distribution width, hemoglobin and red blood cell level. In addition, MCC-NCs significantly reduced the levels of activated partial thromboplastin time, thrombin time and fibrinogen (P < 0.05). The pathological examination results showed that MCC-NCs can significantly reduce lung tissue damage, reduce bleeding and inflammatory cell infiltration. At the same time, it can also significantly reduce the symptoms of gastric mucosal bleeding. In conclusion, the results indicated that MCC-NCs has significantly the effect of blood cooling and hemostasis, and its hemostatic effect is mainly related to the activation of endogenous coagulation pathway or fibrinogen system, which provided a novel strategy for exploring the material basis of traditional Chinese medicine for hemostasis.

10.
Article in Chinese | WPRIM | ID: wpr-879184

ABSTRACT

Schisandrae Chinensis Fructus in six growth stages was taken as materials to study the species and content changes of material basis, which were detected by UPLC, GC and MS chromatography, including lignans, nucleosides, aroma components and fatty acids. The results showed that the texture, color and taste of Schisandrae Chinensis Fructus in six growth stages were different. On the material basis, 12 lignans were detected by UPLC-MS, and the content of total lignans was higher in the samples from late August to early September, among which the highest content of schisandrin was 0.67%±0.01%, followed by schizandrol B, angeloylgomisin H and schisandrin B, and the total content increased with the maturity of Schisandrae Chinensis Fructus. Thirteen kinds of nucleosides were detected by UPLC. The total nucleoside content was the highest in late July samples, in which the contents of uridine and guanosine were higher and decreased after maturity. Aroma components and fatty acids were identified by GC-MS. A total of 53 aroma components were detected and the highest total content was appeared in late August samples, of which ylangene was higher and bergamotene was followed. A total of 24 kinds of fatty acids were detected. The fruits matured basically in August, and the content of fatty acids in the samples was the highest, among which linoleic acid content was top the list and oleic acid was the second. To sum up, the maturity of Schisandra chinensis fruit is related to the content and variety of various material bases, and the growth period has different influences on the quality of Schisandrae Chinensis Fructus. Therefore, the appropriate harvesting time should be determined according to the change law of target components. The results of this study can provide reference for the quality evaluation of Schisandrae Chinensis Fructus material basis.


Subject(s)
Chromatography, Liquid , Drugs, Chinese Herbal , Fruit/chemistry , Lignans/analysis , Schisandra , Tandem Mass Spectrometry
11.
Acta Pharmaceutica Sinica ; (12): 1653-1662, 2021.
Article in Chinese | WPRIM | ID: wpr-881557

ABSTRACT

We explored the pharmacodynamic material basis and network regulatory mechanism of Fufang Yuxingcao Mixture (FYM) for the treatment of fever and inflammation. Targets of the 25 compounds in FYM were predicted according to the reverse pharmacophore method and TCMSP, UniProt database. Gene ontology (GO) function enrichment and pathway analysis of the targets was analyzed by Omicsbean software and the Kyoto Gene and Genome Encyclopedia (KEGG) database. A "compound-target-pathway-pharmacological action-effect" network was established with Cytoscape 3.6.1 software. The lipopolysaccharide (LPS)-induced RAW264.7 cell inflammation model was used to verify the anti-inflammatory effects of FYM and its 10 important components. The network pharmacology experiment showed that 25 compounds affected 97 pathways through 211 targets, of which 15 key targets [including RAC-alpha serine/threonine-protein kinase (AKT1), insulin (INS), vascular endothelial growth factor A (VEGFA), interleukin-6 (IL-6), cellular tumor antigen p53 (TP53), tumor necrosis factor (TNF), transcription factor AP-1 (JUN), caspase-3 (CASP3), matrix metalloproteinase-9 (MMP9), interleukin-8 (IL-8), prostaglandin G/H synthase 2 (PTGS2), proto-oncogene c-Fos (FOS), tyrosine-protein kinase SRC (SRC), c-Jun N-terminal kinase 1 (MAPK8), estrogen receptor 1 (ESR1)] and 46 pathways (including NF-kappa B signaling pathway, Toll-like receptor signaling pathway, MAPK signaling pathway, IL-17 signaling pathway, arachidonic acid metabolism, cAMP signaling pathway, T cell receptor signaling pathway, calcium signaling pathway, inflammatory mediator regulation of TRP channels, chemokine signaling pathway, Th1 and Th2 cell differentiation, natural killer cell mediated cytotoxicity, etc.) were related to anti-inflammatory, antipyretic, immune regulation, and analgesia. In vitro cell experiments showed that FYM and the 10 components (including isoquercitrin, luteoloside, baicalein, wogonin, wogonoside, phillyrin, forsythoside A, chlorogenic acid, isochlorogenic acid A, and sweroside) could significantly reduce the expression of nitric oxide (NO), TNF-α and IL-6 in cell supernatants, indicating that the above 10 components may be the key pharmacodynamic material basis of FYM.

12.
China Pharmacy ; (12): 559-564, 2021.
Article in Chinese | WPRIM | ID: wpr-873669

ABSTRACT

OBJECTIVE:To establish HPLC fingerprint of Coptis chinensis inflorescence,and study its spectrum-effect relationship with antioxidant and antibacterial effects. METHODS :Taking 14 batches of C. chinensis inflorescence from different producing areas as the object ,HPLC method was adopted. The determination was performed on Supersil C 18 column with mobile phase consisted of acetonitrile- 0.1% phosphoric acid solution(gradient elution )at the flow rate of 1.0 mL/min. The column temperature was set at 25 ℃. The detection wavelength was set at 329 nm,and sample size was 10 μL. The fingerprints of 14 batches of C. chinensis inflorescence were established by Similarity Evaluation System of TCM Fingerprint (2012 A edition ),and the similarity evaluation and common peak identification were carried out. Taking DPPH free radical scavenging rate and hydroxyl radical scavenging rate as antioxidant effects index ,relative antibacterial activity (Escherichia coli )as antibacterial effect index , SPSS 21.0 software was adopted to analyze the Pearson correlation between common peaks of C. chinensis inflorescence and above efficacy indexes ;their spectrum-effect relationship was established and validated. RESULTS :A total of 7 common peaks were obtained in HPLC fingerprint of C. chinensis inflorescence,and the similarity was no less than 0.916. No. 5 peak was identified as berberine hydrochloride. Seven common peaks were positively correlated with DPPH free radical scavenging rate ;No. 1-3,4,6,7 peaks were positively correlated with hydroxyl radical scavenging rate ,while No. 5 peak was negatively correlated with hydroxyl radical scavenging rate. There was a positive correlation between No. 5 peak and antibacterial activity in vitro . After validation , relative error between the predicted values and the measured values of DPPH free radical scavenging rate ,hydroxyl radical scavenging rate and relative antibacterial activity was 0.92%- 14.5% . CONLUSIONS :The established spectrum-effect relationship model can be used to evaluate antioxidant andantibacterial effects of C. chinensis inflorescence. The chemical components represented by No. 1,2,3,4,6,7 peaks are the material basis of antioxidant effect of C. chinensis inflorescence, and berberine hydrochloride is the material basis of antibacterial effect.

13.
Article in Chinese | WPRIM | ID: wpr-906525

ABSTRACT

Objective:Chemical constituents in hypoglycemic effective fractions of Longan Folium were isolated and identified by ultra performance liquid chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry (UPLC-Q-Orbitrap HRMS) to clarify the hypoglycemic substance basis of Longan Folium. Method:Chemical constituents in hypoglycemic effective fractions of Longan Folium were isolated on a Thermo Hypersil GOLD C<sub>18</sub> column (2.1 mm×100 mm, 1.9 μm), the mobile phase was 0.1% formic acid acetonitrile solution and 0.1% formic acid solution (containing and 10 mmol ammonium acetate) for gradient elution. HRMS was operated in the positive and negative ion modes with the scanning range of <italic>m</italic>/<italic>z</italic> 100-1 500. Result:The secondary fragment ion information of target compounds was selected and compared with the compounds reported in the databases and related literature to further confirm these compounds. Nine compounds were identified in the ethanol fraction of Longan Folium, including cynaroside, kaempferol, quercitrin, luteolin, shikimic acid, citric acid, <italic>L</italic>-tyrosine, adenosine and nicotinamide. A total of 11 compounds were determined in the ethyl acetate fraction (cynaroside, quercitrin, kaempferol, luteolin, shikimic acid, gallic acid, protocatechuic acid, adenosine, nicotinamide, <italic>L</italic>-phenylalanine and scopoletin), and 10 compounds were identified in the <italic>n</italic>-butanol fraction (cynaroside, kaempferol-3-<italic>O</italic>-rutinoside, kaempferol, astragalin, luteolin, citric acid, gallic acid, adenosine, nicotinamide and 5-hydroxymethylfurfural). And five common compounds were identified in these three hypoglycemic effective fractions. Conclusion:The established UPLC-Q-Orbitrap HRMS can quickly identify chemical constituents in three hypoglycemic effective fractions of Longan Folium, their main chemical constituents are flavonoids and their glycosides, organic acids and nitrogen-containing compounds, which provides technical support and scientific evidence for the study on pharmacodynamic material basis and quality control of Longan Folium.

14.
Article in Chinese | WPRIM | ID: wpr-906523

ABSTRACT

Objective:To study the effect of sedimentary type Limonitum on hemostatic indexes in blood and metal ions in serum of rats with hemorrhage. Method:The hemorrhagic rat models were established by warfarin sodium. The experimental animals were divided into control group,model group,powder group and water decoction group. On day 15 from drug administration, the contents of 6-keto prostaglandin F<sub>1</sub><italic><sub>α</sub></italic>(6-keto-PGF<sub>1</sub><italic><sub>α</sub></italic>),thromboxane B<sub>2</sub>(TXB<sub>2</sub>),arachidonic acid(AA),endothelin 1(ET-1),platelet activating factor(PAF),P-selectin(PS),and Ca<sup>2+</sup> in the whole blood of rats in each group were determined by enzyme-linked immunosorbent assay(ELISA). The contents of Na,Mg,K,Ca,Fe,Al,Li,Be,Ti,V,Cr,Mn,Co,Ni,Cu,Zn,As,Sr,Cd,Sn,Sb,Ba,and Pb in serum samples were determined by inductively coupled plasma optical emission spectrometer(ICP-OES) and inductively coupled plasma mass spectrometry(ICP-MS). Result:Compared with the model group,the content of 6-keto-PGF<sub>1</sub><italic><sub>α</sub></italic> was reduced in the powder group and water decoction group (<italic>P</italic><0.05),and the contents of TXB<sub>2</sub>,AA,ET-1,PAF,PS,Ca<sup>2+ </sup>were<sup> </sup>significantly increased(<italic>P</italic><0.01),with a positive and beneficial regulatory effect. In the powder group, 10 kinds of metal elements in serum of rats were significantly and positively regulated: Na,K,Ca,Fe,Li,Ti,V,Co,Cu,and Zn(<italic>P</italic><0.05,<italic>P</italic><0.01). In the water decoction group, 10 metal elements with significant positive regulation were as follows: Na,K,Ca,Fe,Li,V,Ni,Cu,Zn,and Sr(<italic>P</italic><0.05,<italic>P</italic><0.01). In addition,the content of Cr(<italic>P</italic><0.01) in the powder group and Cr(<italic>P</italic><0.01),Pb(<italic>P</italic><0.05) in the water decoction group were significantly reduced. Conclusion:The powder and water decoction of sedimentary type Limonitum had definite and positive intervention effect on warfarin hemorrhage model rats,which could play a coagulation role by enhancing the vasoconstriction ability,promoting the activation of platelets,and increasing the platelet aggregation rate and blood viscosity. The metal elements such as Na,K,Ca,Fe,Li,Ti,V,Co,Cu,Zn,Ni and Sr may be the material basis for sedimentary type Limonitum to exert hemostatic effect. According to the above indicators,the intervention effect of powder group and decoction group was basically the same.

15.
Article in Chinese | WPRIM | ID: wpr-906505

ABSTRACT

Stroke is a destructive cerebrovascular event caused by the interruption of cerebral blood flow caused by the blockage or rupture of cerebral vessels, which is easy to cause physical disability and multiple functional injuries. The mortality rate of stroke patients in China occupies the first place in the world. How to effectively treat stroke is one of the urgent health problems to be solved. In the clinic, academician WANG Yong-yan observed that 60% of stroke patients with heat-phlegm and sthenic-Fu syndrome. Most of the patients with heat-phlegm and sthenic-Fu syndrome are characterized by stagnation of stool, bad breath and dry pharynx, and so on, After clinical practice, Xinglou Chengqi decoction (XLCQD) was established to treat stroke patients with heat-phlegm and sthenic-Fu syndrome. XLCQD is one of the representative prescriptions for removing phlegm to relax bowels, which is composed of Rhei Radix et Rhizoma, Natrii Sulfas, Trichosanthis Fructus and Arisaema Cum Bile by the ratio of 5∶5∶15∶3. At present, the research on XLCQD is mainly focused on clinical observation and pharmacological mechanism, while the basic research of its pharmacodynamic substance is relatively weak. This paper intends to sort out the chemical composition and pharmacological mechanism of XLCQD, in order to provide the basis for the chemical component identification, drug target prediction and material basis screening of this compound in the later stage. In addition, through the case analysis of XLCQD and modified XLCQD in the treatment of stroke, its rules of clinical application were summarized, in order to provide reference for the clinical application of this compound.

16.
Article in Chinese | WPRIM | ID: wpr-906468

ABSTRACT

Objective:In order to systematically clarify the chemical composition of Jiechangyan Qixiao granules, the main chemical components in this preparation were rapidly identified and assigned by ultra-performance liquid chromatography-quadrupole-time-of-flight mass spectrometry (UPLC-Q-TOF/MS<sup>E</sup>). Method:ACQUITY UPLC BEH C<sub>18</sub> column (2.1 mm×100 mm, 1.8 μm) was employed for UPLC analysis with the mobile phase of 0.1% formic acid aqueous solution (A)-acetonitrile (B) for gradient elution (0-2 min, 5%B; 2-16 min, 5%-21%B; 16-30 min, 21%-95%B; 30-33 min, 95%B; 33-34 min, 95%-5%B; 34-37 min, 5%B). The flow rate was 0.3 mL·min<sup>-1</sup>, the column temperature was 30 ℃, and the volume of sample injection was 2 μL. Electrospray ionization (ESI) was applied for scanning under positive and negative ion modes with the scanning range of <italic>m</italic>/<italic>z</italic> 60-1 200. MS<sup>E</sup> mode was used to collect mass spectral data. The ion peaks were identified by comparing with the information of control substances, literature references and self-built database. Result:A total of 102 chemical components were separated and identified in Jiechangyan Qixiao granules, including organic acids, flavonoids and its glycosides, triterpenes, phenylethanoid glycosides, tannins, iridoid glycosides and other components, among which flavonoids and its glycosides were from Drynariae Rhizoma and Crataegi Fructus, phenylethanoid glycosides and iridoid glycosides were from Plantaginis Semen, triterpenoids and tannins were from Crataegi Fructus and Chebulae Fructus. Among the identified chemical constituents, there were 28 from Drynariae Rhizoma, 31 from Plantaginis Semen, 53 from Chebulae Fructus and 58 ingredients from Crataegi Fructus. Conclusion:The established UPLC-Q-TOF/MS<sup>E</sup> can comprehensively and rapidly analyze the chemical constituents in Jiechangyan Qixiao granules, and preliminarily elucidates the chemical composition profile of this granules, which can lay a foundation for further research on the pharmacodynamic material basis and quality control of Jiechangyan Qixiao granules.

17.
Article in Chinese | WPRIM | ID: wpr-906466

ABSTRACT

Objective:To establish a high performance liquid chromatography (HPLC) fingerprint of branches of <italic>Juglans mandshurica</italic> and to evaluate the quality of the samples from different producing areas and in different harvest periods. Method:Chromatographic separation was performed on an Agilent Poroshell 120 SB-C<sub>18</sub> column (2.1 mm×100 mm, 2.7 μm) for gradient elution with mobile phase of 0.2% formic acid solution (A)-0.2% formic acid acetonitrile solution (B) (0-5 min, 5%-10%B; 5-25 min, 10%-16%B; 25-40 min, 16%-22%B; 40-45 min, 22%-45%B; 45-50 min, 45%-65%B; 50-52 min, 65%-100%B; 52-55 min, 100%B) at a flow rate of 0.3 mL·min<sup>-1</sup>. The column temperature was 30 ℃ and the detection wavelength was 270 nm. The quality of branches of <italic>Juylans mandshurica</italic> was evaluated by similarity evaluation, cluster analysis, principal component analysis and partial least squares-discriminant analysis. The chemical constituents of the samples were identified by HPLC coupled with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS/MS). The mass spectrometry was conducted in negative ion mode with electrospray ionization(ESI). Data were acquired over a range of <italic>m</italic>/<italic>z</italic> 100-1 700 for MS and <italic>m</italic>/<italic>z</italic> 50-1 700 for MS/MS. Result:A total of 19 common peaks were confirmed in 40 batches of samples, and the similarity ranged from 0.430 to 0.995, of which the similarity of samples collected in spring and winter seasons (April, May and December) was greater than 0.90, while the similarity of most samples collected in summer (July to September) was low. Multivariate statistical analysis showed that the samples were divided into two groups according to the harvest time, but there was no obvious classification rule for the samples from different producing areas. The contents of most constituents in the samples collected in spring and winter were higher than those collected in summer. The result illustrated that different harvest periods had great influence on the quality of branches of <italic>J</italic>.<italic> mandshurica</italic>. Compared with the samples collected in summer, the quality of samples collected in spring and winter was better. A total of 22 peaks were proved to be the main constituents that contributed to the difference between samples collected in different seasons. A total of 83 chemical components were identified by HPLC-Q-TOF-MS/MS, including 49 tannins, 7 organic acids, 14 naphthalene derivatives, 1 flavonoid, 6 anthracene derivatives, 2 lignans, 3 diarylheptanoids and 1 saccharide. Totally 13 common peaks were identified. Of the peaks that contributed to discriminate samples collected in different season, 19 peaks were identified and most of them were tannins. Conclusion:The established HPLC fingerprint can provide useful information for the quality evaluation of branches of <italic>J</italic>.<italic> mandshurica</italic>. Tannin is the main constituents in the samples. Harvest period has great influence on the quality of branches of <italic>J</italic>.<italic> mandshurica</italic>.

18.
Article in Chinese | WPRIM | ID: wpr-906433

ABSTRACT

Objective:To investigate the effect of Chloriti Lapis on metal elements in brain tissue and plasma of epileptic rats kindled by pentylenetetrazol (PTZ), and to explore the possible material basis of Chloriti Lapis. Method:PTZ kindling method was used to establish epileptic rat model. Inductively coupled plasma mass spectrometry (ICP-MS) and inductively coupled plasma optical emission spectrometer (ICP-OES) were used to determine the contents of metal elements in brain tissue and plasma of the blank group, model group, carbamazepine group (0.1 g·kg<sup>-1</sup>) and Chloriti Lapis group (2 g·kg<sup>-1</sup>). The data were statistically analyzed by SPSS 18.0 software. Result:Compared with the blank group, the contents of Sr, Sb and Ba in brain tissue of rats in the model group were significantly increased (<italic>P</italic><0.05, <italic>P</italic><0.01), while the contents of Zn, Fe, Cu, K, Li, Co, Sn and Pb were significantly decreased (<italic>P</italic><0.05, <italic>P</italic><0.01). Compared with the model group, the contents of Zn, Fe, K, Li, Co, As and Pb in brain tissue of rats in the Chloriti Lapis group were obviously increased (<italic>P</italic><0.05, <italic>P</italic><0.01), while the contents of Sr and Sb were significantly decreased (<italic>P</italic><0.01). These results showed that Chloriti Lapis had positive effect on the regulation of the content of metal elements in rat brain tissue to normal level, the intervention effect was clear, and the overall effect was better than that of carbamazepine group. The determination of 21 metal elements in plasma showed that compared with the blank group, the levels of K, Sr and Cd in the model group were significantly increased (<italic>P</italic><0.05), and the contents of Li, Al, Ti and Cr were significantly decreased (<italic>P</italic><0.05). Compared with the model group, the contents of Ca, K, Li, Al and V in the Chloriti Lapis group were obviously increased (<italic>P</italic><0.05, <italic>P</italic><0.01), and the contents of Fe, Ti, Sr and Cd were significantly decreased (<italic>P</italic><0.05,<italic>P</italic><0.01). The correlation analysis of metal elements among the groups showed that there were 17 pairs of elements had positively correlation in the brain tissue of rats, 2 pairs of elements had significant negative correlation. In the plasma of rats, 8 pairs of elements had significant positive correlation and 6 pairs of elements had significant negative correlation. Conclusion:The metal element groups represented by Zn, Fe, K, Li, Co, As, Pb, Sr, Sb, Ca, Al, V, Ti and Cd may be the effective material basis for Chloriti Lapis to interfere PTZ-kindled epileptic model rats, which may be related to the influence of these metal element groups on the release of neurotransmitters and the electrical balance of neurons, the regulation of abnormal synchronous discharge induced by Na<sup>+</sup>, K<sup>+</sup>, Ca<sup>2+</sup> channel disorders and intervention of metabolism pathways in brain tissue related to epilepsy. It can make the excitatory and inhibitory activities restrain each other, and finally reach the normal physiological state of neurons and cells. The intervention effect of Chloriti Lapis group was better than that of carbamazepine group.

19.
Article in Chinese | WPRIM | ID: wpr-906343

ABSTRACT

Objective:To explore the material basis and mechanism of Sangjiang Ganmao injection (SG) in the treatment of common cold by ultra-performance liquid chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry (UPLC-Q-Orbitrap HRMS) and network pharmacology. Method:UPLC-Q-Orbitrap HRMS was used to identify the chemical components of SG with mobile phase of acetonitrile (A)-0.1% formic acid aqueous solution (B) for gradient elution (0-10 min, 4%-15%A; 10-35 min, 15%-30%A; 35-45 min, 30%-33%A; 45-55 min, 33%-60%A; 55-58 min, 60%A), flow rate of 0.2 mL·min<sup>-1</sup>, electrospray ionization (ESI) and scanning range of <italic>m</italic>/<italic>z</italic> 100-1 500 under positive and negative ion modes. Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and GeneCards 5.0 database were used to screen and predict the potential targets of chemical components in SG, STRING 11.0 database and Cytoscape 3.7.2 software were used to construct protein-protein interaction (PPI) network model, gene ontology (GO) analysis and pathway analysis were performed on potential targets by Metascape 3.5, Reactome database and Kyoto Encyclopedia of Genes and Genomes (KEGG), Cytoscape 3.7.2 software was used to build the network of "herbs-ingredients-key targets". Result:A total of 54 components in SG were identified, and 80 potential targets of SG for treatment of common cold were predicted and screened based on this. SG exerted therapeutic effects by acting on targets such as interleukin (IL)-6, tumor necrosis factor (TNF) and IL-10, and signaling pathways such as IL-17 signaling pathway, TNF signaling pathway and interaction of cytokine receptors. Conclusion:SG may interfere with the expression of inflammatory cytokines by acting on related targets and pathways such as inflammation and immune system, and regulate the immune function of the body as a whole, thereby exerting a therapeutic effect.

20.
Article in Chinese | WPRIM | ID: wpr-906182

ABSTRACT

Objective:To identify the chemical constituents of Platycladi Cacumen<italic> </italic>before and after being carbonized. Method:Chemical constituents in 3 batches of Platycladi Cacumen and its carbonized products<italic> </italic>were identified and compared by ultra performance liquid chromatography-quadrupole-time of flight-mass spectrometry (UHPLC-QTOF-MS/MS). Chromatographic separation was performed on an ACQUITY UPLC BEH C<sub>18</sub> column (2.1 mm×100 mm, 1.7 μm) with 0.1% formic acid aqueous solution (A)- acetonitrile (B) as mobile phase for gradient elution (0-3.5 min, 5%-15%B; 3.5-6 min, 15%-30%B; 6-6.5 min, 30%B; 6.5-12 min, 30%-70%B; 12-12.5 min, 70%B; 12.5-18 min, 70%-100%B; 18-22 min, 100%B). The flow rate was 0.4 mL·min<sup>-1</sup> and the injection volume was 5 μL. Mass spectrometry was performed by an electrospray ionization, and the primary and secondary mass spectrometry data were collected with the full scan mode of positive and negative ions, the peaks containing MS/MS data were identified by self-established secondary mass spectrometry database and corresponding fragmentation law matching method. Result:A total of 77 and 76 substances with the same change trend were identified under positive and negative ion modes. After being<italic> </italic>carbonized, the disappeared components of Platycladi Cacumen were mainly amino acids, ketone aldehydes and other volatile components. Among newly produced components, there were 6 kinds of flavonoid aglycones (rhamnetin, 6,7,3'-trihydroxyflavone, 3,6,3'-trihydroxyflavone, 4'-hydroxy-2'-methyl-3,4,5-trimethoxychalcone, herbacetin and 3',5'-dimethoxy-3,5,7,4'-tetrahydroxyflavone), 3 kinds of coumarins (7-hydroxycoumarin, 7,8-dihydroxycoumarin and 8-acetyl-7-hydroxycoum-arin) and 3 kinds of benzoic acids (3-methylcatechol, pyrocatechol and chromone-3-carboxylic acid). There were a total of 40 flavonoids (quercitrin, quercetin, kaempferol, etc.) among these identified chemical constituents. Conclusion:There are significant quantitative and qualitative changes in the chemical compositions of Platycladi Cacumen after being carbonized. The flavonoids, the identified main active ingredients, can provide data reference for further study on the material basis of efficacy changes of Platycladi Cacumen<italic> </italic>before and after being carbonized.

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