Exploration of the material basis and molecular mechanism of Rhizoma Polygonati in the treatment of non-small cell lung cancer based on network pharmacology and molecular docking#br#
YANG Jiani1 ZHU Xingmei1 YUAN Panpan2 GUO Kaili2 XUE Miao2 LIU Jiping1 WANG Chuan1 WANG Bin1
1.Key Laboratory of Pharmacodynamics and Material Basis of Chinese Medicine, Shaanxi Administration of Traditional Chinese Medicine, Shaanxi University of Chinese Medicine, Shaanxi Province, Xianyang 712046, China;
2.Shaanxi Key Laboratory of Traditional Medicine Foundation and New Drug Research, Shaanxi University of Chinese Medicine, Shaanxi Province, Xianyang 712046, China
Abstract：Objective To explore the material basis and molecular mechanism of Rhizoma Polygonati in the treatment of non-small cell lung cancer (NSCLC) based on network pharmacology and molecular docking. Methods The active components and effect targets of Rhizoma Polygonati were searched in traditional Chinese medicine systems pharmacology database and analysis platform, the targets of NSCLC were searched in Online Mendelian Inheritance in Man, Human Genome Annotation database, and Therapeutic Target database, the component-disease common targets were integrated. DAVID database was used for gene ontology and kyoto encyclopedia of genes and genomes pathway enrichment analysis, the network of “component-target-pathway” was constructed by Cytoscape 3.6.1 software, and the network was analyzed by network analyzer plug-in. AutoDock 4.2 was used for molecular docking, CCK8 method and flow cytometry were used for studying the anti-proliferation and apoptosis induced effects of flavone of Rhizoma Polygonati on A549 cells in vitro. Results 8 components in Rhizoma Polygonati exerted anti-NSCLC effects through 43 targets; these mainly included cancer, apoptosis, hypoxia inducible factor-1, tumor necrosis factor and other signaling pathways; 3’-methoxydaidzein, baicalein, liquiritigenin, and 5,4’-dihydroxyflavone played major roles corresponding to 7 targets; the IC50 of 3’-methox- ydaidzein, baicalein, and liquiritigenin acted on A549 cells for 48 h were 6.88×10, 7.99, 4.34×10 μg/ml respectively; high dose baicalein could induce apoptosis of A549 cells in a concentration-dependent manner. Conclusion Flavonoids in Rhizoma Polygonati could suppress proliferation and induce apoptosis to play the role of anti-NSCLC.
杨嘉妮1 朱星枚1 袁盼盼2 郭凯丽2 薛妙2 刘继平1 王川1 王斌1. 基于网络药理学和分子对接探讨黄精治疗非小细胞肺癌的物质基础与分子机制[J]. 中国医药导报, 2022, 19(8): 16-20.
YANG Jiani1 ZHU Xingmei1 YUAN Panpan2 GUO Kaili2 XUE Miao2 LIU Jiping1 WANG Chuan1 WANG Bin1. Exploration of the material basis and molecular mechanism of Rhizoma Polygonati in the treatment of non-small cell lung cancer based on network pharmacology and molecular docking#br#. 中国医药导报, 2022, 19(8): 16-20.
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