Network Pharmacology Prediction and Molecular Docking-based Strategy to Explore the Potential Mechanism of Banxia Xiexin Decoction Against Chemotherapy-induced Intestinal Mucositis
Network Pharmacology Prediction and Molecular Docking-based Strategy to Explore the Potential Mechanism of Banxia Xiexin Decoction Against Chemotherapy-induced Intestinal Mucositis
Objective: Based on network pharmacology, to explore the potential molecular mechanism of Banxia Xiexin Decoction in the treatment of chemotherapy-induced intestinal mucositis (CIM), and to provide reference for its clinical application and research and development. Methods: TCMSP database was used to search to obtain the effective active ingredients and potential targets of Banxia Xiexin Decoction, GeneCards, OMIM, TTD, and Drugbank databases were used to search for CIM-related targets, and the intersection of the two was used to obtain Banxia Xiexin Decoction.To identify the potential targets of decoction for treating CIM, we used CytoScape 3.6.1 software to draw the "Banxia Xiexin decoction-active ingredient-CIM target" network diagram, and used the STRING 11.0 database to construct a protein interaction network diagram of intersection targets and screen out the network. key proteins in. GO and KEGG enrichment analysis of core targets was performed using the DAVID database. Finally, the PDB platform was used to conduct molecular docking of the key chemical components of Banxia Xiexin Decoction and the core targets. Results: A total of 275 active ingredients and 99 Banxia Xiexin Decoction targets for treating CIM were obtained through screen-ing. After enrichment analysis, 564 GO related entries and 115 related signaling pathways were obtained. Molecular docking results prove that the main active ingredients of Banxia Xiexin Decoction have good affinity with the core tar-gets EGFR, TNF, and IL6. Conclusion: Banxia Xiexin Decoction may play a role in treating CIM through TNF, EGFR, and IL6 targets, and kaempferol, quercetin, and baicalein may be its main active ingredients.
关键词
半夏泻心汤/化疗性肠黏膜炎/网络药理学/分子对接/作用机制
Key words
Banxia Xiexin Decoction/Chemotherapy-induced intestinal mucositis/Network pharmacology/Molecular docking/Mechanism of action
维普
万方数据