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. 2022 Jan 15:2022:5528845.
doi: 10.1155/2022/5528845. eCollection 2022.

Identification of Constituents and Exploring the Mechanism for Toutongning Capsule in the Treatment of Migraine

Xia Du  1   2 , Zhibiao Di  1 , Yang Liu  1 , Wenbing Zhi  1 , Yuan Liu  1 , Hong Zhang  1 , Feng Liu  3   4
Affiliations

Identification of Constituents and Exploring the Mechanism for Toutongning Capsule in the Treatment of Migraine

Xia Du et al. Evid Based Complement Alternat Med. .

Abstract

Toutongning capsule (TTNC) is an effective and safe traditional Chinese medicine used in the treatment of migraine. In this present study, a multiscale strategy was used to systematically investigate the mechanism of TTNC in treating migraine, which contained UPLC-UESI-Q Exactive Focus network pharmacology and experimental verification. First, 88 compounds were identified by the UPLC-UESI-Q Exactive Focus method for TTNC. Then, the target fishing for these compounds was performed by means of an efficient drug similarity search tool. Third, a series of network pharmacology experiments were performed to predict the key compounds, targets, and pathways. They were protein-protein interaction (PPI), KEGG pathway enrichment analysis, and herbs-compounds-targets-pathways (H-C-T-P) network construction. As a result, 18 potential key compounds, 20 potential key targets, and 6 potential signaling pathways were obtained for TTNC in treatment with migraine. Finally, molecular docking and experimental were carried out to verify the key targets. In short, the results showed that TTNC is able to treat migraine through multiple components, multiple targets, and multiple pathways. This work may provide a theoretical basis for further research on the molecular mechanism of TTNC in the treatment of migraine.

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Conflict of interest statement

The authors declare that they have no conflicts of interest.

Figures

Figure 1
Figure 1
The detailed flowchart for TTNC in the treatment of migraine.
Figure 2
Figure 2
The total ion flow diagram of TTN. (a) The positive ion mode. (b) The negative ion mode.
Figure 3
Figure 3
The results of Venn analysis, protein-protein interaction (PPI), and the KEGG pathway enrichment analysis. (a) The Venn's diagrams between the component targets for TTNC and disease targets for migraine. (b) The PPI network for TTNC in treatment with migraine. (c) The results of KEGG pathway enrichment analysis for TTNC in treatment with migraine.
Figure 4
Figure 4
The herbs-compounds-targets-pathways (H-C-T-P) network for TTNC in treatment with migraine.
Figure 5
Figure 5
The molecular docking results of TTNC in treatment with migraine.
Figure 6
Figure 6
The results of experimental verification. (a) Behavioral changes of the control, model, and TTN group. (b) The contents of NO and β-EP in blood serum of the control, model, and TTN group. (c) The HTR1A and DRD2 levels in brain tissue detected by ELISA of the control, model, and TTN group.
See this image and copyright information in PMC

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