摘要
【目的】运用网络药理学结合分子对接的方法探讨绞股蓝治疗非小细胞肺癌(NSCLC)的分子作用机制。【方法】利用TCMSP和STITCH数据库预测绞股蓝的活性化合物和潜在靶点,通过GeneCards、OMIM和TTD数据库搜索NSCLC的相关靶点。应用STRING数据库和Cytoscape软件建立蛋白相互作用网络,并进行分子对接验证和筛选潜在的核心化合物。应用DAVID数据库对靶点进行基因本体论(GO)分析和京都基因与基因组百科全书(KEGG)通路分析,绘制最终通路图。【结果】谷甾醇、菠菜甾醇、胆甾醇可能是绞股蓝治疗NSCLC潜在的核心化合物,表皮生长因子受体(EGFR)、细胞周期蛋白D1(CCND1)、血管内皮生长因子A(VEGFA)和雌激素受体1(ESR1)可能是治疗的重要靶点。此外,绞股蓝可能通过调节磷脂酰肌醇-3-羟激酶(PI3K)-苏氨酸激酶(Akt)、丝裂原活化蛋白激酶(MAPK)、雌激素(Estrogen)、肿瘤坏死因子(TNF)、低氧诱导因子1(HIF-1)等信号通路来发挥治疗NSCLC的作用。【结论】应用网络药理学和分子对接方法可揭示绞股蓝治疗NSCLC的潜在作用机制,为进一步的深入研究提供了理论参考。
Objective To explore the molecular mechanism of Herba Gynostemmae Pentaphylli for the treatment of non-small cell lung cancer(NSCLC)by using network pharmacology combined with molecular docking. Methods The traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)and STITCH databases were used to predict the active compounds and potential targets of Herba Gynostemmae Pentaphylli,and the relevant targets of NSCLC were searched from GeneCards,online medelian inheritance in man(OMIM)and TTD databases. Protein-protein interaction network was established by using the STRING database and Cytoscape software, and molecular docking verification and screening of potential core compounds were carried out. The DAVID database was used to perform gene ontology(GO)analysis and Kyoto encyclopedia of genes and genomes(KEGG)pathway analysis on the targets,and the final pathway map was drawn. Results Sitosterol,spinasterol,and CLR may be potential core compounds of Herba Gynostemmae Pentaphylli treatment for NSCLC. Epidermal growth factor receptor(EGFR),Cyclin D1(CCND1),vascular endothelial growth factor A(VEGFA)and estrogen receptor 1(ESR1)may be important targets for treatment. In addition,Herba Gynostemmae Pentaphylli may play a role in the treatment of NSCLC by regulating phosphatidylinositol-3-hydroxykinase(PI3K)-threonine kinases(Akt),mitogen activated protein kinase(MAPK),Estrogen,tumor necrosis factor(TNF),hypoxia-inducible factor 1(HIF-1)signaling pathways. Conclusion Network pharmacology and molecular docking method can reveal the potential mechanism of Herba Gynostemmae Pentaphylli for the treatment of NSCLC, providing theoretical reference for further in-depth research.
作者
陈江锋
林芝娴
韩孙亚
郭勇
CHEN Jiang-Feng;LIN Zhi-Xian;HAN Sun-Ya;GUO Yong(The First Clinical Medical College of Zhejiang Chinese Medical University,Hangzhou 310053 Zhejiang,China;Dept.of Oncology,the First Affiliated Hospital of Zhejiang Chinese Medical University,Hangzhou 310006 Zhejiang,China)
出处
《广州中医药大学学报》
CAS
2020年第3期501-509,共9页
Journal of Guangzhou University of Traditional Chinese Medicine
基金
“十三五”浙江省中医药(中西医结合)重点学科建设计划项目(编号:2017-XK-A09)
浙江省名中医郭勇学术经验传承与专科建设基金课题(编号:浙中医药201728).
关键词
绞股蓝
非小细胞肺癌
网络药理学
分子对接
Herba Gynostemmae Pentaphylli
non-small cell lung cancer
network pharmacology
molecular docking
作者简介
陈江锋(1994-),男,在读硕士研究生,E-mail:674392376@qq.com;通讯作者:郭勇(1959-),男,博士,主任医师,E-mail:guoyong1047@163.com。
