Study on the Composition and Mechanism of Santiao Decoction in Treating Insomnia Based on UPLC and Network Pharmacology and Molecular Docking Technology

Lixiang Wang; Feixiang Liu; Weixia Li; Hui Zhang; Weitao Wang; Menglin Liu; Daopei Zhang; Huailiang Zhang

doi:10.2174/1386207326666230426093326

Study on the Composition and Mechanism of Santiao Decoction in Treating Insomnia Based on UPLC and Network Pharmacology and Molecular Docking Technology

Comb Chem High Throughput Screen. 2023 Apr 26. doi: 10.2174/1386207326666230426093326. Online ahead of print.

Authors

Lixiang Wang¹, Feixiang Liu², Weixia Li³, Hui Zhang⁴, Weitao Wang⁵, Menglin Liu⁶, Daopei Zhang², Huailiang Zhang²

Affiliations

¹ Henan University of Traditional Chinese Medicine, Zhengzhou, China.
² Vertigo Center, Hospital of Brain Diseases, The First Affiliated Hospital of Henan University of Traditional Chinese Medicine; Henan Province Vertigo Treatment Center; Institute of Vertigo, Henan University of Traditional Chinese Medicine, Zhengzhou, China.
³ First Affiliated Hospital of Henan University of Traditional Chinese Medicine Pharmaceutical Department, The First Affiliated Hospital of Henan University of Chinese Medicine, Zhengzhou, China Zhengzhou China.
⁴ Pharmaceutical Department, The First Affiliated Hospital of Henan University of Chinese Medicine, Zhengzhou, China.
⁵ Beijing University of Chinese Medicine hostipal Beijing China.
⁶ Tianjin University of Traditional Chinese Medicine, Tianjin, China.

PMID: 37170989
DOI: 10.2174/1386207326666230426093326

Abstract

Objective: To identify the chemical components of Santiao Decoction (STD) using Ultra Performance Liquid Chromatography (UPLC) and to conduct a network pharmacological study of STD for the treatment of insomnia based on this technique.

Methods: An ACQUITY UPLC BEH C18 column (2.1 mm×100 mm, 1.7 µm) was used to identify the chemical components of STD by relative molecular weight, mass spectrometry information, and comparison with the control. The active ingredients of the formula and their corresponding gene targets and targets for insomnia were retrieved from several databases, and a visual network diagram of "drug-active ingredient-target-disease" was constructed using Cytoscape 3.8.2 software, and GO functional annotation and KEGG pathway enrichment analysis were performed using various databases such as DAVID.

Results: Five active ingredients were identified from STD by UPLC technique, 268 active ingredients of STD were screened from the TCMSP database, and 109 genes related to STD for insomnia were screened by network pharmacology, among which IL6, MMP9, VEGFA, IL10, CCL2 may be the key targets of STD for insomnia. KEGG pathway analysis showed that STD acts on membrane rafts, plasma membrane micro-regions, and other related pathways, such as Toll-like receptor signaling pathway, prolactin signaling pathway, dopaminergic synapse, relaxin signaling pathway, ErbB signaling pathway, steroid hormone biosynthesis and NF-kappa B signaling pathway for regulation.

Conclusion: The active ingredients in STD, such as (+)-catechin, Swertisin, quercetin, baicalein, and wogonin, may act on IL6, CCL2, VEGFA, MMP9, and other targets to regulate Toll-like receptor signaling pathway, ErbB signaling pathway, NF-kappa B and other signaling pathways, and exert certain therapeutic effects on insomnia, which provide a reference and basis for further research on the mechanism of action of STD.

Keywords: STD; STSantiao decoction; Santiao decoction; action mechanism; insomnia; molecular docking; network pharmacology.