Investigation of effective components screening of Ziziphi Spinosae Semen based on serum pharmacochemistry and network pharmacology / 中草药

ABSTRACT

Objective: The methodology of serum chemistry was applied to screening the effective constituents in Ziziphi Spinosae Semen (ZSS). The combination of serum chemistry with network pharmacology might be a potent method for exploring the material basis of traditional Chinese medicine (TCM). Methods: A RSLC-Q Exactive Orbitrap-HRMS method was established for detecting the components in dosed serum after oral administration of the extract of ZSS. By comparative analysis of the chemical profiles of blank serum and dosed serum, the prototype compounds and metabolites in ZSS may be discovered. Firstly, the active target proteins of insomnia were searched in the DrugBank database and analyzed in String database. Cytoscape was used for the reconstruction and visualization of protein-protein interaction networks (PPI). Secondly, the targets of constituents absorbed into blood were searched in the TCMSP and CoolGeN database. Finally, the network of "constituents absorbed into blood-target" was constructed and analyzed using Cytoscape software. Results: Fifteen compounds including 6 flavonoids and 1 metabolite, 5 triterpenoids saponins and 2 alakoids and 1 metabolite from ZSS were discovered. Combined serum chemistry results, network pharmacology analysis revealed that 5 compounds including zizyphusine, spinosin, apigenin, jujuboside A and coclaurine mightserve as the material basis for ZSS. Triterpenoids saponins were corresponding to GABAA targets, while alakoids were corresponding to melatonin target. Conclusion: This work provides a novel strategy for investigation of effective components by combination of serum chemistry and network pharmacology. This attempt should be helpful for screening in vivo effective components for ZSS.