Exploration mechanisms of Coptis chinensis Franch. and Rehmannia glutinosa Libosch. against T2DM based on network pharmacology and molecular docking
Year: 2025
Type: article
Abstract: BACKGROUND: Coptis chinensis Franch. (HL) and Rehmannia glutinosa Libosch. (DH) are frequently used in clinical practice, and they have complex pharmacological effects. The objective of this study is to utilize network pharmacology in conjunction with molecular docking to investigate the diseases that can be effectively treated through C chinensis Franch. and R glutinosa Libosch. (HL-DH) combined application and to elucidate the underlying mechanism. METHODS: The active ingredients and related targets of HL-DH were screened by TCMSP and literature review. The Metascape data platform was used to predict the disease of HL-DH. Gene targets associated with T2DM were screened by DrugBank, DisGeNET, OMIM and GeneCards. Then get the intersection of the 2 targets. Intersection targets were analyzed by String database for protein-protein interaction (PPI) networks and the PPI network was constructed by Cytoscape software (version 3.10.1). Gene ontology (GO) and KEGG pathway enrichment were started for the obtained intersection targets. RESULTS: The main active ingredients of the HL-DH and the key targets of the T2DM were verified by molecular docking. A total of 16 active ingredients and 93 intersection targets were selected, through the PPI network, and the top 10 targets were selected as the core targets and played an important role in the intervention of T2DM. The GO enrichment analysis obtained 580 biological processes, 58 cellular components and 95 molecular functions. The KEGG signaling pathway mainly includes AGE-RAGE signaling pathway in diabetic complications, HIF-1 signaling pathway. Molecular docking results showed that the active ingredients in HL-DH could effectively bind to AKT1, tumor necrosis factor (TNF), IL6, CASP3, and IL1B in the AGE-RAGE signaling pathway in diabetic complications. CONCLUSION: The results show that the HL-DH may treat many diseases such as diabetes mellitus and infection. The main active ingredients of HL-DH such as quercetin, berberine, worenine, (R)-canadine, berlambine, methyl ferulate bind to AKT1, TNF, IL6, CASP3, IL1B, and other targets. Multiple signaling pathways are activated to intervene in the pathogenesis of T2DM, so as to treat T2DM. This provides a basis for further experimental verification.
Source: Medicine
Authors: Yanping Zhang, Haichao Zuo, Chenxi Zhang, Zan Zhao, Liyuan Zhao
Institution: Henan University of Science and Technology
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,950
OpenAlex ID: W4417518516