Study on molecular mechanism Ginseng Radix et Rhizoma, Poria and Atractylodis Macrocephalae Rhizoma in the treatment of ulcerative colitis based on network pharmacology and molecular docking / 国际中医中药杂志

Objective:To investigate the pharmacological effects and molecular mechanisms of Ginseng Radix et Rhizoma, Poria and Atractylodis Macrocephalae Rhizoma for the treatment of ulcerative colitis based on the network pharmacology and molecular docking methods.Methods:TCMSP database was applied to get the active components of Ginseng Radix et Rhizoma, Poria and Atractylodis Macrocephalae Rhizoma, and SwissTargetPrediction database was applied to predict their targets; OMIM, DrugBank, TTD, PharmGKB and GeneCards databases were used to obtain the disease targets of ulcerative colitis; Venn Diagram website was used to draw the venn diagrams of drug-disease intersecting targets; drug-component-target network diagrams were created in Cytoscape 3.8.2, and the targets and active components with high correlation in the network were analyzed; protein interaction networks of intersecting targets were constructed using the String platform, and the NetworkAnalyzer plug-in in Cytoscape 3.8.2 was applied to Topology analysis and screening of core targets were performed using the Metascape platform; GO and KEGG analysis were performed using the Metascape platform; molecular docking validation was performed using vina inside pyrx software.Results:A total of 14 active components of Ginseng Radix et Rhizoma, Poria and Atractylodis Macrocephalae Rhizoma were screened, and the core components were kaempferol, stigmasterol, hederagenin, α-amyrin; 148 drug targets, 1 307 disease targets and 50 drug-disease intersection targets were obtained; there were 23 core points such as ESR1, PTPN2, PIK3R1, SRC, EGFR, and AKT1. The results of GO analysis indicated that the targets were mainly located in the cell membrane region and were involved in the regulation of biological functions such as monooxygenase and oxidoreductase activities, as well as the regulation of hormones and lipids, etc. The results of KEGG pathway enrichment analysis revealed that the main enrichment pathways were PI3K-Akt, JAK-STAT and MAPK signaling pathways. The molecular docking results showed that the main components, kaempferol and serpentine, could bind stably to several core targets such as PIK3R1 and ESR1. Relevant literature has verified the pharmacological action of each core component.Conclusions:Kaempferol, hederagenin and α-amyrin are the active components of Ginseng Radix et Rhizoma, Poria and Atractylodis Macrocephalae Rhizoma. They play therapeutic roles in improving immune dysregulation, reducing inflammatory response, inhibiting epithelial cell apoptosis and repairing mucosal damage by regulating targets such as PIK3R1, PTPN2 and ESR1, and modulating PI3K-Akt pathway, JAK-STAT pathway and MAPK pathway.

Study on network pharmacology and molecular docking of Shenling Baizhu Powder for treating different diseases with same method on type 2 diabetes mellitus and ulcerative colitis / 国际中医中药杂志

Objective:To discuss the molecular association pattern of Shenling Baizhu Powder for type 2 diabetes (T2DM) and ulcerative colitis through network pharmacology method based on the theory of "treating different diseases with same method" in TCM.Methods:The TCMSP and ETCM Chinese medicine chemical composition databases were used to obtain the chemical composition and predict the targets of Shenling Baizhu Powder. The OMIM, GeneCards, DrugBank and TTD disease databases were used to obtain the disease targets of T2DM and ulcerative colitis. The intersection targets of chemical composition of Shenling Baizhu Powder, T2DM and ulcerative colitis were obtained by Bioinformatics platform. Cytoscape 3.8.2 software was used to map the "Chinese materia medica-component-target" network and "effective component- intersection target" network. The GO enrichment analysis and KEGG pathway analysis of the intersection targets were performed with the STRING platform. The intersection target protein-protein interaction network was constructed by STRING database, and core targets were obtained using the CytoNCA plugin of Cytoscape 3.8.2 software. AutodockTools software was applied to validate the molecular docking between the core chemical components and the core targets of Shenling Baizhu Powder.Results:Totally 176 chemical components of Shenling Baizhu Powder, 226 corresponding targets, 11 478 T2DM targets, 4 857 Ulcerative targets of ulcerative colitis, and 162 intersection targets of medicinal chemistry components and diseases were obtained. 1 789 related biological processes, 163 molecular functions, 92 cell constituents, and 192 signaling pathways were obtained by GO enrichment analysis and KEGG pathway analysis. The signaling pathways were mainly about AGE-RAGE, TNF, IL-17,MAPK, PI3K-Akt signaling pathways, etc. The core components of Shenling Baizhu Powder were mainly sitosterol, luteolin, kaempferol, naringenin, beta-carotene, etc. The core targets were EGFR, ALB, IL1B, CASP3, ESR1, VEGFA, PTGS2, TNF, IL6, MYC, AKT 1, JUN, TP53, etc. The core chemical components had tight correlation with the core targets by the molecular docking.Conclusions:By acting on core targets such as TNF, IL1B, IL6, AKT1, VRGFA, PTGS2, MYC, JUN, TP53, and regulating IL-17 signaling pathway, TNF signaling pathway, MAPK signaling pathway, AGE-RAGE signaling pathway, etc., Shenling Baizhu Powder improves tissue inflammation damage, mucosal barrier damage, immune regulation imbalance, intestinal flora dysbiosis, insulin resistance, apoptosis, oxidative stress and other biological processes. Therefore Shenling Baizhu Powder can treat T2DM and ulcerative colitis with the same method.

Study on network pharmacology of Polygalae Radix- Acori Tatarinowii Rhizoma medicinal pair for depression and Alzheimer disease with the same treatment / 国际中医中药杂志

Objective:To explore the molecular mechanism of Polygalae Radix - Acori Tatarinowii Rhizoma medicinal pair for depression and Alzheimer disease (AD) with the same treatment through network pharmacology. Methods:Effective components of Polygalae Radix - Acori Tatarinowii Rhizoma medicinal pair were retrieved from TCMSP, TCMID and ETCM databases. The disease targets of depression and AD were retrieved from GeneCards, TTD and CTD databases. Targets of action of drugs on active components were predicted through SwissTargetPrediction, and then the intersection targets of medicinal pair and the diseases were taken. Cytoscape 3.6.1 was used to construct the interaction network of Polygalae Radix - Acori Tatarinowii Rhizoma medicinal pair on "component-common target-disease". The enrichment analysis of GO function and KEGG pathway was carried out with the help of Metascape platform, and molecular docking verification was carried out. Results:Through searching the databases and literature, 78 compounds in Polygalae Radix - Acori Tatarinowii Rhizoma medicinal pair were obtained, corresponding to 41 targets of different diseases with the same treatment. The GO function was mainly concentrated in response to lipopolysaccharide and cellular response to nitrogen compound. The KEGG pathway was mainly concentrated in lipid and atherosclerosis, calcium signaling pathway, serotonergic synapse, insulin resistance and so on. The core targets were PTGS2, ESR2, etc. Molecular docking showed that most of the core components could form stable conformation with the core targets. Conclusions:Polygalae Radix - Acori Tatarinowii Rhizoma medicinal pair has the characteristics of multi-component, multi-target and multi-pathway in the same treatment of depression and AD. Through their core components of senegenin, 1-carbobutoxy-β-carboline, 6-hydroxy-1,2,3,7-tetramethoxyxanthone, kaempferol and etc., the pair can act on PTGS2 and other targets, regulate lipid and atherosclerosis, calcium signaling pathway, serotonergic synapse, insulin resistance and so on, and play a therapeutic role in depression and Alzheimer's disease with the same treatment.

Research of characteristic chromatograms on Qihong decoction / 国际中医中药杂志

Objective To develop an method for detecting the characteristic chromatograms of Qihong decoction by high-performance liquid chromatography coupled with diode arry and evaporative light-scattering detectors (HPLC-DAD-ELSD). Methods The determination was carried out with Venusil MP-C18 (250 mm × 4.6 mm, 5 μm) column,using acetonitrile-0.2％ formic acid as mobile phase with gradient elution at a flow rate of 1.0 ml/min and detected at the wave length 254 nm, 290 nm, 365 nm. The drift tube temperature for ELSD was set at 70 ℃, and the nebulizing gas flow rate was 2.8 L/min. Results There were 34 chemical compositions in characteristic chromatograms of Qihong decoction. Among them, 16 peaks came from Polygoni Orientalis Fructus, 17 from Astagali Radix, respectively. A total of 18 chemical constituents were identified. Conclusions The method was simple, steady and reliable which could be applied to the quality control of Qihong decoction.

Construction of the network course of Chinese medicine preparation analysis based on BB platform / 国际中医中药杂志

The article proposes the construction of network course of Chinese Medicine Preparation Analysis based on Black Board network teaching platform. It states the construction of teaching contents, the implementation of Case-Based Learning, the assistant of practical teaching and the formative evaluation. And it is helpful to improve the quality of classroom teaching, stimulate students self-regulated learning, expand their knowledge, improve their practical ability and innovative consciousness.

The effects of notoginsenoside R1 on the intestinal absorption of geniposide by the everted rat gut sac model.

ETHNOPHARMACOLOGICAL RELEVANCE: Geniposide is derived from Gardenia jasminoides Ellis (Rubiaceae). Its anti-inflammatory, antithrombotic effects as well as its preventive effect against ischemic stroke have been reported. Radix notoginseng (Chinese name tienchi or sanqi) is the dried root of Panax notoginseng (Burk.) F.H. Chen, an herb noted for its promotion of blood circulation, blood stasis removal and pain alleviation, and has been widely utilized for the prevention and treatment of microcirculatory disturbances in China and other Asian countries for many years. Notoginsenoside R1 is an effective and structurally representative bioactive constituent of R. notoginseng. In our preliminary study, notoginsenoside R1 was able significantly to improve the bioavailability of geniposide in beagle dogs, but the underlying mechanisms remain unknown. MATERIALS AND METHODS: The present study aimed to investigate the intestinal kinetic absorptive characteristics of geniposide as well as the absorptive behavior influenced by the co-administration of notoginsenoside R1 using an in vitro everted rat gut sac model. RESULTS: The results showed good linear correlation between the geniposide absorption in sac contents and the incubation time from 0 to 120 min. The concentration dependence showed a non-linear correlation between the geniposide absorption and the concentrations 0.356-1.424 mg/mL, the absorption was saturated about 1.424 mg/mL. Notoginsenoside R1 at 0.1 and 0.2mg/mL concentrations was able significantly to enhance the absorption of geniposide (1.424 mg/mL) by 1.7- and 1.4-fold. Moreover, verapamil, a well-known P-glycoprotein inhibitor, was able significantly to elevate the absorption of geniposide 2.4-fold. Notoginsenoside R1 influenced geniposide's absorption in a way similar to that of a P-glycoprotein inhibitor. CONCLUSIONS: In conclusion, notoginsenoside R1 significantly enhances the intestinal absorption of geniposide. As for the mechanism underlying the improvement of geniposide's bioavailability, it is proposed that notoginsenoside R1 was able to decrease the efflux transport of geniposide by P-glycoproteins.

Determination of Caffeic Acid and Rosmarinic Acid in Prunella vulgaris from Different Habitat by HPLC / 中国中医药信息杂志

Objective To establish an HPLC method for determination and comparison of the content of caffeic acid and rosmarinic acid in Prunella vulgaris from different habitat. Methods The determination was carried out with Waters Zorbax SunFire C18 (4.6 mm?150 mm, 5 ?m), gradient MeOH-0.1% acetic acid solution was taken as the mobile phase at a flow rate of 1.0 mL/min, and the detection wavelength was at 330 nm. Results The linear range of caffeic acid was 0.099 2～0.496 0 ?g (r=0.999 9). The average recovery rate of caffeic acid was 99.75% (RSD=2.27%, n=5). The content of caffeic acid in Prunella vulgaris from different habitat ranged from 0.02% to 0.05%. The linear range of rosmarinic acid was 0.828 8～4.144 0 ?g (r=0.999 8), The average recovery rate of rosmarinic acid was 101.37% (RSD=1.19%, n=5). The content of rosmarinic acid in Prunella vulgaris from different habitat ranged from 0.09% to 0.20%. Conclusion The content of caffeic acid and rosmarinic acid in Prunella vulgaris from different habitat varied greatly.