湖北医药学院学报2023，Vol.42Issue(6)：612-619,8.DOI:10.13819/j.issn.2096-708X.2023.06.007
基于网络药理学和分子对接探索双氢青蒿素治疗口腔鳞状细胞癌的作用机制及实验验证
Mechanism Research and Experimental Verification of Dihydroartemisinin Used for Treating Oral Squamous cell Carcinoma through Network Pharmacology and Molecular Docking
摘要
Abstract
Objective Network pharmacology and molecular docking were used to study the possible mechanism of dihydro-artemisinin in the treatment of oral squamous cell carcinoma,and the core targets were experimentally verified.Methods The targets of dihydroartemisinin were obtained through PharmMapper and other databases,and GeneCards and other data-bases were used to obtain the disease targets of oral squamous cell carcinoma.The intersection targets were the potential tar-gets of dihydroartemisinin treating oral squamous cell carcinoma.The potential target protein-protein interaction network was established through the STRING database,and the data processed by CytoScape software and screened for core targets.Metascape was used for GO and KEGG enrichment analysis.Molecular docking of dihydroartemisinin with the core targets were performed by AutoDock software.CAL-27 cells were treated with different concentrations of dihydroartemisinin,and cell viability was detected by CCK-8.RT-qPCR was used to detect the expression level of core target mRNAs.Results 148 drug treatment targets were obtained,including 7 core targets.GO analysis showed that there were a total of 601 entries involved in the intersection targets,including protein kinase activity,protein tyrosine kinase activity,etc.Molecular doc-king suggests that KEGG enrichment analysis showed that the intersection targets involved 167 signaling pathways,inclu-ding Pathways in cancer,PI3K-Akt signaling pathway,etc.Molecular docking suggests that dihydroartemisinin could bind well to the core targets.CCK-8 results showed that dihydroartemisinin could inhibit the activity of CAL-27 cells significant-ly in a dose-dependent manner.RT-qPCR results showed that under the action of a certain concentration of dihydroartemis-inin,the mRNA expression of SRC,PIK3R1,PIK3CA and PTPN11 in cells decreased.Conclusion Dihydroartemisinin may play an anticancer role in oral squamous cell carcinoma by acting on multiple targets such as SRC and PIK3R1.关键词
双氢青蒿素/口腔鳞状细胞癌/网络药理学/分子对接Key words
Dihydroartemisinin/Oral squamous cell carcinoma/Network pharmacology/Molecular docking引用本文复制引用
张昊,于曼,胡图强..基于网络药理学和分子对接探索双氢青蒿素治疗口腔鳞状细胞癌的作用机制及实验验证[J].湖北医药学院学报,2023,42(6):612-619,8.基金项目
湖北省教育厅科研计划项目(B2022133) （B2022133）
十堰市科技局科研项目(21Y51) （21Y51）
湖北省大学生创新创业省级项目(S201910929035) （S201910929035）
