摘要
目的探讨白及抗头颈鳞状细胞癌(HNSCC)的潜在靶点和作用机制。方法从中药TCMSP、Swiss Target-Prediction和SymMap数据库挖掘白及的活性成分及其主要靶点。从TCGA数据库下载HNSCC相关数据集,通过R语言获得HNSCC中的差异表达基因,以STRING数据库和Cytoscape软件构建药物-疾病共同靶点蛋白质-蛋白质相互作用网络(PPI),用R软件进行GO和KEGG富集分析,用Autodock软件进行分子对接。通过乙酸乙酯萃取和乙醇提取获得白及提取物,通过CCK-8法检测白及提取物对HNSCC细胞(Cal27)存活率的影响。结果白及9个主要有效成分对应235个作用靶点。GO和KEGG富集分析发现53条通路受白及调控,包括蛋白质自磷酸化、细胞周期、p53及IL-17信号通路等。分子对接预测发现白及有效成分2,3,4,7-四甲氧基菲与多个靶标具有良好的键合活性。体外细胞实验表明白及提取物处理Cal27细胞48h后,Cal27细胞生长显著抑制,IC50为8.3μg/mL。结论白及可能通过多种靶点有效抑制HNSCC增殖。
Objective To explore the potential targets and mechanism of Bletilla Striata against head and neck squamous cell carcinoma(HNSCC).Methods The active components and main targets of Bletilla Striata were obtained from TCMSP,Swiss Target-Prediction and SymMap databases.HNSCC related RNA sequencing and clinical datasets were downloaded from TCGA database,and differentially expressed genes of HNSCC were analyzed by R software.The STRING database and Cytoscape software were used to construct the drug-disease common target protein-protein interaction network(PPI).R software was also used for GO and KEGG enrichment analysis.Molecular docking was performed using Autodock software.Bletilla Striata extract was obtained by ethyl acetate and ethanol extraction.CCK-8 assay was used to detect the effect of Bletilla Striata extract on the survival rate of HNSCC cells.Results Bletilla Striata contains 9 active components and 235 corresponding targets.GO and KEGG enrichment analysis showed that 53 pathways were regulated by Bletilla Striata,including protein autophosphorylation,cell cycle,p53 and IL-17 signaling pathways.Molecular docking prediction showed that the active component of Bletilla Striata,2,3,4,7-tetramethoxyphenanthrene,has good bonding activity with multiple targets.In vitro cell experiments showed that Bletilla Striata extract inhibited the proliferation of Cal27 cells with IC50of 8.3μg/mL at 48h.Conclusion Bletilla Striata may effectively inhibit the proliferation of HNSCC through multi-targets.
作者
葛娟娟
周权
王浩
王德玮
刘静
朱薿
GE Juan-juan;ZHOU Quan;ZHU Ni(School of Pharmacy,Xianning Medical College,Hubei University of Science and Technology,Xianning Hubei 437100,China)
出处
《湖北科技学院学报（医学版）》
2023年第1期39-45,共7页
Journal of Hubei University of Science and Technology(Medical Sciences)
基金
湖北省卫生健康委2021—2022年面上项目(WJ2021M089)
大学生创新创业训练计划项目(S202210927036)
湖北科技学院校内科研发展基金项目医学部口腔与眼视光医学院专项(2021WG02)
湖北科技学院校内科研发展基金项目(2021-23GP04)。
关键词
白及
头颈鳞状细胞癌
增殖
网络药理学
分子对接
Bletilla Striata
Head and neck squamous cell carcinoma
Proliferation
Network pharmacology
Molecular docking
