Exploration on material basis and mechanism of Bushen Huoxue Decoction in treating multiple myeloma based on network pharmacology and molecular docking technology
ZHOU Yanqun LIN Lingyun CHEN Benshu WANG Liqiong LIU Zenghui
Department of Hematology, the First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangdong Province, Guangzhou 510405, China
Abstract：Objective To explore the effective components and pharmacological targets, signal pathways of Bushen Huoxue Decoction in treating multiple myeloma based on network pharmacology and molecular docking technology. Methods The chemical components of Bushen Huoxue Decoction were searched in traditional Chinese medicine systems pharmacology database and analysis platform. The whole target genes corresponding with the components of Bushen Huoxue Decoction were predicted by searching Swiss Target Prediction database. The gene microarray data of multiple myeloma patients and healthy persons were retrieved from the GEO database by taking “multiple myeloma” as the keyword and compared to screen the differentially expressed genes by the internet analyzer of GEO2R. DAVID database was used for gene ontology and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis of intersection genes. Further, Cytoscape software was used to analyze the network topology parameters, and the core genes and key components were selected according to the degree value, proximity to centrality and intermediary number. Finally, AutoDock Vina was used to verify the molecular docking between core genes and key genes. Results About 97 active components and 98 potential target genes were collected for Bushen Huoxue Decoction corresponding with multiple myeloma therapy. Active ingredients-target network constructed by intersection genes contained 195 nodes and 756 edges. KEGG pathway mainly involved cancer signaling pathway, MAPK signaling pathway and nuclear factor-κB signal transduction pathway, osteoclast differentiation, TNF signal pathway, etc. Molecular docking showed that the key components of Bushen Huoxue Decoction could spontaneously bind to the key targets of multiple myeloma, and the binding performance of methyl cimicifugin with MAPK14 was the best. Conclusion Bushen Huoxue Decoction can inhibit the proliferation of multiple myeloma cells, enhance the effect of chemotherapy and reduce bone damage through multi-component, multi-target and multi-channel. It has a certain value in the treatment of multiple myeloma.
周艳群 林玲云 陈本澍 王礼琼 刘增慧. 基于网络药理学与分子对接技术探讨补肾活血方治疗多发性骨髓瘤的物质基础与作用机制[J]. 中国医药导报, 2021, 18(25): 119-123.
ZHOU Yanqun LIN Lingyun CHEN Benshu WANG Liqiong LIU Zenghui. Exploration on material basis and mechanism of Bushen Huoxue Decoction in treating multiple myeloma based on network pharmacology and molecular docking technology. 中国医药导报, 2021, 18(25): 119-123.
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