Study on the mechanism of Shengjiang Xiexin Decoction in the treatment of chemotherapy-induced diarrhea based on network pharmacology and molecular docking

Objective:To explore the key targets and mechanism of Shengjiang Xiexin Decoction in the treatment of chemotherapy-induced diarrhea based on network pharmacological methods.Methods:The effective components and corresponding target proteins of Shengjiang Xiexin Decoction were screened by TCMSP,and the target of chemotherapy-induced diarrhea were screened by the GeneCards.R software was used to obtain the common targets of drugs and diseases,and the“component-target-disease”network diagram was constructed by Cytoscape3.8.0 software.The string datebase was used to draw the protein interaction(PPI)network,and the Bioconductor software was used to perform GO function and KEGG pathway enrichment analysis on effective targets.Result:The result showed that 216 components were screened and 276 effective targets were screened.There were 1764 chemotherapy-induced diarrhea targets.The 173 common targets were obtained through venn diagram.The GO function analysis found 2427 items of biological process,168 items of molecular function and 79 items of cellular component.The KEGG pathway analysis found 169 items.Conclusion:The PPI network found that STAT3、AKT1、MAPK3、JUN、MAPK1、RELA、IL6、etc.may be the key targets for Shengjiang Xiexin Decoction in treatment of chemotherapy-induced diarrhea.GO biological processes include DNA-binding transcription factor activity,cytokine receptor binding,cytokine activity,response to lipopolysaccharide,cellular response to chemical stress and so on.The KEGG pathways involved mainly include Toll-like receptor signaling pathway,TNF signaling pathway,inlfuenza A signaling pathway、hepatitise B signaling pathway and other pathways,that Play the role of anti-inflammatory and repair barrier.

Simultaneous determination of 14 active constituents of Shengjiang Xiexin decoction using ultrafast liquid chromatography coupled with electrospray ionization tandem mass spectrometry

An effective herbal medicinal prescription of Shengjiang Xiexin decoction(SXD) was used in treating the inflammatory bowel disease in clinic.In this study,an ultrafast liquid chromatography-tandem mass spectrometry(UFLC-MS/MS) method was developed to separate and to simultaneously determine14 major active ingredients in SXD.Chromatographic separation was successfully accomplished on an Acquity BEH C18(100 mm × 2.1 mm,1.7 μm) column using gradient elution with 0.1%(v/v) formic acid water(A) and 0.1%(v/v) formic acid in methanol(B).Negative and positive electrospray ionization tandem mass spectrometry was used to detect the 14 analytes using its selective reaction monitoring(SRM) mode.A good linear regression relationship for each analyte was obtained over the range from3.88 ng/mL to 4080 ng/mL.The precision was evaluated by intra-and inter-day assays with a relative standard deviation(RSD) of less than 6.25%.The recovery measured at three concentration levels varied from 98.72%to 103.47%.The overall limits of quantification(LOQ) ranged from 2.05 ng/mL to4.72 ng/mL.The method was successfully implemented in the qualitative and quantitative analyses of the14 chemical constituents in SXD.The results showed that the developed UFLC-MS/MS method was linear and accurate.The method could be used reliably as a quality control method for SXD.