Using Network Pharmacology to Explore Therapeutic Effect of Polygonum capitatum on Renal Calculus in Rats

[Objectives]To explore the therapeutic effect of Polygonum capitatum on renal calculus in rats based on network pharmacology.[Methods]Through the preliminary construction of P.capitatum-urolithiasis disease target network,explore the active components,action pathway and action target of P.capitatum-urolithiasis treatment,and use 1%ethylene glycol+2%ammonium chloride to induce SD rat kidney calcium oxalate stone model to verify the efficacy of P.capitatum-urolithiasis treatment.[Results]Through the network pharmacological prediction,it is found that the important active components in P.capitatum were quercetin,gallic acid,rutin,silybin,catechin,kaempferol and so on;potential active targets include INS,CAT,IL-6,MOCOS,etc.The results also suggest that forkhead transcription factor signaling pathway(FoxO signaling pathway),tumor necrosis factor signaling pathway(TNF signaling pathway)and hypoxia-inducible factor signaling pathway(HIF-1 signaling pathway)are the core pathways.The results of biochemical indicators in animal experiment showed that the contents of serum urea nitrogen(BUN),creatinine(Cr)and malondialdehyde(MDA)in renal tissue in the treatment group(200,500 mg/kg)were significantly lower than those in the model group,while the content of superoxide dismutase(SOD)was significantly higher than that in the model group.In addition,the kidney tissue H&E staining sections showed that P.capitatum alcohol extract administration group rats kidney calcium oxalate crystals were significantly reduced compared with the model group,the degree of renal tubular lumen expansion was lighter than the model group,suggesting that P.capitatum alcohol extract has the effect of improving renal calculus in rats.[Conclusions]This study provides a theoretical reference for the deep development of P.capitatum in the treatment of renal calculus.

Material Basis of Ningmitai Capsule for the Treatment of Urinary Tract Infections Based on Network Pharmacology

[Objectives]To study the main active components,targets and related pathways of Ningmitai capsule for the treatment of urinary tract infections(UTIs)based on network pharmacology.[Methods]The chemical components of Ningmitai capsule were collected through literature search,and the relevant target information of the components was sorted out.The UTIs-associated targets were also screened out using DisGeNET database and GeneCards database.Cytoscape 3.6.1 software and STRING platform were used to construct the protein-protein interaction(PPI)network,and MCODE plug-in in this software was used to analyze the action pathway and key targets of Ningmitai capsule for the treatment of UTIs.GO and KEGG pathway enrichment analysis of key targets was conducted using David database,and the component-target-pathway network diagram of Ningmitai capsule for the treatment of UTIs was established.[Results]A total of 37 active compounds,including salicylate,ferulic acid,baicalin,quercetin,apigenin and ellagic acid were screened from seven TCM components of Ningmitai capsule.There were 26 possible targets related to the treatment of UTIs,such as NFKB1,JUN,CTNNB1 and STAT3,which play an important role for the treatment of UTIs through prostate cancer,bladder cancer,pancreatic cancer and other signaling pathways.[Conclusions]The study provides a theoretical basis for the study of the mechanism of Ningmitai capsule in the treatment of UTIs.

Investigation on the Material Basis of Sijicao Granules in Treating Eczema Based on Network Pharmacology

[Objectives]To explore the pharmacodynamic material basis of Sijicao granules for the treatment of eczema through chemical composition-network pharmacology.[Methods]First of all,the chemical constituents of Polygonum capitatum and Plantago asiatica from Sijicao granules were collected,and the relevant target information of the constituents was collected by TCMSP,PubChem,DisGeNET,GeneCards and STRING databases.Furthermore,Cytoscape 3.8.2 software was used to construct the chemical compounds-target network map of Sijicao granules.Finally,STRING database was used for PPI protein network analysis,GO functional enrichment analysis and KEGG pathway enrichment analysis of core targets,and molecular docking between core constituents and protein targets was also performed.[Results]30 constituents,including quercetin,kaempferol,luteolin,ellagic acid and gallic acid,were discovered to be the key effective compounds of Sijicao granules in the treatment of eczema.And its core action protein targets were PTGS2,NOS2,AKT1,TP53,IL6,HMOX1.What s more,through GO functional enrichment analysis of biological process(BP),cell component(CC),molecular function(MF)analysis and KEGG pathway enrichment analysis,the main pathways of action of Sijicao granules for the treatment of eczema including IL-17 signaling pathway,T cell receptor signaling pathway,cancer signaling pathway,TNF signaling pathway and Relaxin signaling pathway.In addition,molecular docking results displayed that the primary active constituents quercetin,kaempferol and luteolin were well combined with the core protein targets AKT1 and IL6.[Conclusions]Sijicao granules could play an important role for the treatment of eczema through multi-component,multi-target,multi-pathway and their interaction.

Analysis of Lavandulyl Flavonoids from Sophora flavescens with Antiinflammatory Activity Based on Molecular Network Technology

[Objectives]This study was conducted to screen lavandulyl flavonoids with anti-inflammatory activity from Sophora flavescens.[Methods]35 compounds were screened from traditional Chinese medicine S.flavescens using the nitric oxide(NO)anti-inflammatory activity model.[Results]Five components,8(xanthohumol),13(kurarinol),27(4-methoxysalicylic acid),28(b-resorcic acid)and 30(b-resorcic acid),exhibited significant anti-inflammatory activity,with IC 50 values of 5.99,4.76,6.96,3.41 and 5.22μM,respectively.Especially,8(xanthohumol)and 13(kurarinol)were typical lavandulyl flavonoids in S.flavescens,which were worth further exploration.Furthermore,UPLC-Q-Exactive and GNPS molecular networking technique were used for rapid analysis of lavandulyl flavonoids from S.flavescens.A total of 15 components were identified.[Conclusions]This work lays a theoretical foundation for further separation and analysis of lavandulyl flavonoids with anti-inflammatory activity from S.flavescens.

A New Flavonoid Glycoside from Polygonum capitatum

[Objectives]To discover novel compounds with significant anti-inflammatory activity in the alcohol extract of Polygonum capitatum.[Methods]Firstly,a new flavonoid glycoside,capitaone B(1),was isolated from the ethyl acetate extract from P.capitatum,and then 27 compounds were screened using NO anti-inflammatory activity model.[Results]Four compounds,such as kaempferol(12),1,2,6-trigalloyl-β-d-glucose(15),catechin(16)andβ-sitosterol(26),could significantly inhibit LPS-induced NO production in macrophages,with IC 50 values of 15.31,8.43,6.92 and 5.72μM,respectively.[Conclusions]The chemical composition and anti-inflammatory activity of P.capitatum were preliminarily studied,and the results provide a theoretical basis for further research on the action mechanism of subsequent anti-inflammatory active compounds of P.capitatum.

Systematic Evaluation of Pharmacognostic Identification of Polygonum capitatum

[Objectives] To investigate the systematic evaluation of pharmacognostic identification of Polygonum capitatum . [Methods] 10 batches of P. capitatum cultivated in Guizhou were chosen for plant samples. Macroscopical identification was conducted on plant roots, stems, leaves, flowers and fruits. The P. capitatum powder was processed for physical and chemical distinction by FeCl 3 chromogenic reaction, hydrochloric acid magnesium powder reaction, AlCl 3 color development reaction and thin-layer chromatography.Microscope identification was carried out on the powder. Plant genome DNeasy Plant Kit was adopted for DNA molecular marker identification. [Results] The results showed that the stem of P. capitatum was tufted, the leaves were oval, 2 to 5 cm long, and 1 to 2 cm wide;the leaf apex was acute and cuneate at the base, the inflorescence was capitate, paired or solitary;the raceme was erect and nearly spherical, and the perianth was light red. Furthermore, for the chromogenic reaction of FeCl 3 ethanol extract of P. capitatum , appeared blue and turned to dark blue after long time storing at room temperature. For the reaction of hydrochloric acid magnesium powder, the alcohol extract of P. capitatum , exhibited deep red. In the color reaction of AlCl 3, the alcohol extract revealed yellow fluorescence under 360 nm UV lamp. Microscope identification of the powder displayed pollen grains, crystal sheath fibers, cellulose, vessels, starch grains, cork cells, and other characteristic fragments. In addition, DNA barcoding electrophoresis results showed that P. capitatum showed a clear and bright single band near 500 bp, and further sequencing results showed that the sequence differences were mainly concentrated in ITS1 and ITS2 region. [Conclusions] Systematic evaluation for the identification of P. capitatum is established, which combines with macroscopic identification, physicochemical identification, powder microscope identification, and DNA molecular identification. Finally, the original medicinal material is identified as P. capitatum Buch.-Ham. ex D. Don.

Antioxidant,Anti-inflammatory,and Antibacterial Activities of Different Extracts from Polygonum capitatum

[Objectives]To investigate the antioxidant,anti-inflammatory and antibacterial activities of different extracts(aqueous,ethanol,ethyl acetate and n-butanol extracts)of Miao medicine Polygonum capitatum.[Methods]Eleven batches of P.capitatum in Guizhou province were collected,and water,ethanol,ethyl acetate and n-butanol extracts were prepared by reflux extraction.Antioxidant activity was determined by radical scavenging capacity of 1,1 diphenyl-2-picyl hydrazine(DPPH),anti-inflammatory activity was screened by lipopolysaccharide(LPS)induced RAW264.7 cells to produce NO,and the minimum inhibitory concentration(MIC)was screened by broth microdilution method.[Results]When the concentration of ethyl acetate extract was 10 mg/L,the scavenging rate of DPPH ranged from 90%to 99%.The(MIC of the ethyl acetate extract against Staphylococcus aureus(SA),Pseudomonas aeruginosa(PA)and Escherichia coli(EC)was 0.18-0.65,0.13-0.82,and 0.15-0.78 g/L,respectively.In the anti-inflammatory activity,ethyl acetate extract inhibited NO production with inhibition rate of 70%.[Conclusions]The ethyl acetate extract and ethanol extract of Miao medicine P.capitatum have strong antioxidant,anti-inflammatory and antibacterial activities.

Extraction Optimization and Composition Analysis of Volatile Oil from Fruit of Alpinia zerumbet

[Objectives] The aim was to determine the optimum process for the extraction of volatile oil from Alpinia zerumbet fruit.[Methods]Steam distillation was used to extract volatile oil from A. zerumbet fruit. Based on the single factor tests,an orthogonal test was designed to explore the effects of solid-liquid ratio,soaking time,extraction time and grinding degree of material on the extraction rate. The composition of volatile oil from A. zerumbet fruit was analyzed using gas chromatography-mass spectrometry( GC-MS),and the relative mass fraction of each component was determined by peak area normalization. [Results] With volatile oil yield as the index,the optimum extraction process was determined: solid to liquid ratio of 1∶ 10,soaking time of 0. 5 h,grinding degree of passing through 24-mesh sieve and extraction time of 5 h. A total of 29 compounds were isolated. Among them,the contents of α-terpinene( 24. 894%),1,8-terpadiene( 15. 527%) andα-pinene( 6. 982%) were relatively high. [Conclusions]The optimized extraction process for volatile oil from A. zerumbet fruit is stable and reasonable. Under the optimum extraction process,the extraction effect of volatile oil from A. zerumbet fruit was the best. The chemical components of volatile oil from A. zerumbet fruit were determined by GC-MS as α-terpinene( 24. 894%),1,8-terpadiene( 15. 527%) and α-pinene( 6. 982%).

Cycle stability of lithium/garnet/lithium cells with different intermediate layers

The garnet-type electrolytes such as Ta-doped Li7La3Zr2Ol2 （LLZTO） have been viewed as the promising electrolytes for solid-state lithium batteries, but it exhibits problem of high interfacial resistance （1960 Ω·cm^2） and short circuit when being cycled in Li/LLZTO/Li cells at the current density above 0.5 mA·cm^-2. Introduction of intermediate layers in between lithium and LLZTO is helpful for decreasing the interfacial resistance and suppressing the growth of lithium dendrites. In this work, three kinds of intermediate layers of Au, Nb and Si with the thickness of 100 nm were prepared. Although the interfacial resistance with the Au layer decreases from 1960 to 32 Ω·cm^2, the cells can only cycle for 0.67 h at 0.5 mA·cm^-2, related to the Au peeled off from the LLZTO. The Nb layers lead to the initial interfacial resistance of 14 Ω·cm^2, while showing extension of cycle time to 50 h with the increase in interracial resistance due to the formation of the resistive Li-Nb-O phase. The Si layers induce the interfacial resistance as low as 5 Ω·cm^2 and the cycles as long as 120 h, which is attributed to the improvement in electrical contact between Li and electrolyte as well as the maintenance of conductive interface during cycles.