Investigating the pharmaceutical substances and action mechanisms of Changmaxifeng granules against tic disorders

Figure 1 The results of in vitro chemical composition analysis. A: Total ion current diagram of negative ion mode; B: Total ion current diagram of positive ion mode; C: Total ion current diagram of reference in negative ion mode; D: Class of chemical composition of Changmaxifeng granules (CG); E: Source of chemical composition of CG. C1 for gallic acid; C2 for gastrodin; C3 for albiflorin; C4 for paeoniflorin; C5 for 1,2,3,4,6-pentagalloylglucose; C6 for 3, 6′-disinapoyl sucrose.

Figure 2 Possible cleavage pattern and secondary mass diagram. A: The degradation pattern and secondary mass diagram of paeoniflorin; B: The degradation pattern and secondary mass diagram of onjisaponin Y; C: The degradation pattern and secondary mass diagram of 3,6’-disinapoyl sucrose; D: The degradation pattern and secondary mass diagram of tenuifoliside A; E: The degradation pattern and secondary mass diagram of parishin B; F: The degradation pattern and secondary mass diagram of gallic acid; G: The degradation pattern and secondary mass diagram of polygalaxanthone VIII; H: The degradation pattern and secondary mass diagram of acetyl glutamic acid.

Figure 3 Characterization results of plasma components. A: Plasma total ion current diagram of negative ion mode; B: Plasma total ion current diagram of positive ion mode.

Figure 4 Structural formulas of the blood-entry prototype components. A: Structural formulas of the blood-entry prototype components from Baishao; B: Structural formulas of the blood-entry prototype components from Tianma; C: Structural formulas of the blood-entry prototype components from Shichangpu; D: Structural formulas of the blood-entry prototype components from Yuanzhi. Gal: Galactose; Api: Apiofuranosyl; Rha: Rhamnose; Ara: Arabinose; Xyl: Xylose; TC: 3,4,5-trimethoxy cinnamoyl; DC: 3,4-dimethoxy cinnamoyl.

Figure 5 Possible metabolic pathways of the components that enter the bloodstream. A: The metabolic pathways of 23-hydroxybetulinic acid; B: The metabolic pathways of gastrodin; C: The metabolic pathways of paeoniflorin; D: The metabolic pathways of gallic acid; E: The metabolic pathways of onjisaponin F, 3',6-disinapoylsucrose and sibiricose A5.

Figure 6 The results of network pharmacology. A: The Venn diagram of the intersecting targets; B: The protein interaction network diagram; C: Top 10 of protein interaction network diagram; D: The Gene Ontology enrichment results; E: The Kyoto Encyclopedia of Genes and Genomes enrichment results; F: The component-target-pathway-disease topological network. TD: Tic disorder; CG: Changmaxifeng granules.

Figure 7 The results of molecular docking. A: Results of molecular docking; B: The binding mode of VEGFA with peoniflorin; C: The binding mode of AKT1 with evofolin, and the binding mode of VEGFA with peoniflorin; D: The binding mode of ESR1 with peoniflorin; E: The binding mode of FOS with tenuifolin; F: The binding mode of IL-6 with tenuifolin.