Identification of Chaihu Guizhi Ganjiang Decoction Treating Obesity Using Network Pharmacology
Department of Pharmacology, School of Medical Sciences, Capital Medical University, Beijing 100069, China
| Abstract: | Objective: To explore the regulatory pathways and the molecular targets of Chaihu Guizhi Ganjiang Decoction (CGGD) against obesity and related metabolic disorders (OMD) by network pharmacology and molecular docking. Methods: The targets and main active components of CGGD and OMD were extracted from TCMSP, SymMap, BATMAN, DisGeNET and GeneCards databases. Disease and compound targets were intersected by Venn diagram to get potential therapeutic targets of CGGD. STRING and Cytoscape software were used to construct target protein interactions and compound-disease-target interactions to identify key CGGD compounds and their regulated pathways in treating OMD, which were further analyzed by GO and KEGG using DAVID (the Database for Annotation, Visualization and Integrated Discovery) and Metascape platforms. Finally, molecular docking was applied to model the interaction of selected molecules with related targets. Results: The CGGD possessed 116 pivotal compounds targeting 52 essential genes involved in OMD. KEGG and GO analysis then revealed that CGGD regulates inflammation, thermogenesis and energy metabolism pathways, whose major targets were docked with CGGD components such as Wogonin, quercetin, Kaempferol and β-Sitosterol by molecular simulation. Conclusion: This study illuminates molecular targets and pathways of CGGD in treating OMD by network pharmacology and multi-pair molecular docking. |
| Keywords: | Chaihu Guizhi Ganjiang Decoction; Network Pharmacology; Metabolic Disorders; Obesity; Mechanisms; Molecular Docking |
| DOI: | 10.57237/j.life.2023.01.002 |
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Received: 26 February 2023
Accepted: 12 April 2023
Published Online: 25 April 2023
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