A network pharmacology and molecular docking approach to reveal the mechanism of Chaihu Anxin Capsule in depression

Lin Yang; Yan Zhao; Ruochen Qu; Yan Fu; Chunhua Zhou; Jing Yu

doi:10.3389/fendo.2023.1256045

A network pharmacology and molecular docking approach to reveal the mechanism of Chaihu Anxin Capsule in depression

Front Endocrinol (Lausanne). 2023 Sep 7:14:1256045. doi: 10.3389/fendo.2023.1256045. eCollection 2023.

Authors

Lin Yang¹, Yan Zhao¹, Ruochen Qu¹, Yan Fu^{2

3}, Chunhua Zhou¹, Jing Yu¹

Affiliations

¹ Department of Pharmacy, First Hospital of Hebei Medical University, Shijiazhuang, China.
² Core Facilities and Centers, Hebei Medical University, Shijiazhuang, China.
³ School of Pharmaceutical Sciences, Hebei Medical University, Shijiazhuang, China.

Abstract

Introduction: As one of the most frequently diagnosed mental disorders, depression is expected to become the most common disease worldwide by 2030. Previous studies have shown that Chaihu Anxin Capsule has powerful antidepressant effects. However, its mechanisms are not fully understood. The aim of our research is to reveal the mechanisms of Chaihu Anxin Capsule in treating depression.

Methods: Information about the ingredients of the herb was gathered using the TCMSP. Genes associated with antidepressants were gathered from the GeneCards database. An "herbal-ingredient-target" network was constructed and analyzed using Cytoscape software. The PPI network of the antidepressant targets of Chaihu Anxin Capsule was constructed using the STRING database. KEGG pathway and GO enrichment were used to analyze the antidepressant targets. Molecular docking technology was used to confirm the capacity of the primary active ingredients of Chaihu Anxin Capsule to bind to central targets using AutoDock Vina and PyMOL software.

Results: Network analysis showed that five targets might be therapeutic targets of Chaihu Anxin Capsule in depression, namely, JUN, IL6, AKT1, TP53, and STAT3. The gene enrichment analysis implied that Chaihu Anxin Capsule benefits patients with depression by modulating pathways related to lipids and atherosclerosis and the AGE-RAGE signaling pathway in diabetic complications. Molecular docking analyses revealed that JUN, IL6, AKT1, TP53, and STAT3 had good affinities for quercetin, beta-sitosterol and kaempferol.

Conclusion: According to the bioinformatics data, the antidepressant effects of Chaihu Anxin Capsule may be primarily linked to cholesterol and atherosclerosis as well as the AGE-RAGE signaling pathway in diabetic complications. These results emphasize that the expected therapeutic targets may be possible indicators for antidepressant activity.

Keywords: Chaihu Anxin capsule; depression; molecular docking; network pharmacology; traditional chinese medicine.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Atherosclerosis*
Depression / drug therapy
Humans
Interleukin-6
Molecular Docking Simulation
Network Pharmacology*

Substances

Interleukin-6

Grants and funding

This study was supported by the Hebei Provincial Department of Finance Geriatric Disease Prevention and Control Project (Project No. LNB202001) and the Scientific Research Plan Project of the Hebei Administration of Traditional Chinese Medicine (Project No. Z2022014).