基于网络药理学筛选结肠癌关键靶点及人参干预研究  

Screening of Key Targets for Colonic Neoplasmsand Effects of Panax ginseng Based on Network Pharmacology

作　　者：杨欣 李亚辉 钱海兵 刘晓龙 YANG Xin;LI Yahui;QIAN Haibing;LIU Xiaolong(Guizhou university of traditional Chinese medicine,Guiyang 550025,China)

机构地区：[1]贵州中医药大学

出　　处：《贵阳中医学院学报》2019年第6期24-30,共7页Journal of Guiyang University of Chinese Medicine

基　　金：贵州省科技计划课题任务,项目编号:黔科合SY字[2009]3104;贵州省高层次人才科研条件特助经费项目,项目编号:TZJF2010-056;贵州省普通高校特色重点实验室建设项目,项目编号:黔教合KY字[2017]006;贵州省研究生教育创新基地,项目编号:黔教研合CXJD字[2014]004;贵州省一流学科建设项目,项目编号:QYNYL[2017]008

摘　　要：目的:基于网络药理学筛选结肠癌的关键靶点及人参的干预研究。方法:基于CTD(Comparative Toxicogenomics Database,CTD)筛选结肠癌靶点;通过KABOX和DAVID对靶点进行通路富集、GO功能分析;借助STRING结合Cytoscape对结肠癌靶点进行相互作用分析;基于分子对接(SYBYL2.1.1)研究人参活性成分与关键靶点的作用特征。人参关键化学成分的理化性质基于admetSAR进行初期筛选。结果:结肠癌靶点174个,肿瘤坏死因子(TNF)、p53肿瘤蛋白(TP53)、原癌基因MYC蛋白(MYC)、血管内皮生长因子A(VEGFA)、表皮生长因子受体(EGFR)、基质金属蛋白酶-9(MMP9)、转录因子AP-1(JUN)为核心靶点。人参190个化学成分中,103个化学成分与MYC原癌基因蛋白、血管内皮生长因子A有较好的结合(Total-Score>5)。人参皂苷、挥发油、醇类为防治结肠癌的关键活性成分。结论:初步筛选出人参发挥抗结肠癌的活性成分及关键靶点,为从人参中发现和研发靶向防治结肠癌新药提供科学参考。Objecive: Screening of key targets for Colonic Neoplasms and effects of Panax ginseng based on Network Pharmacology. Methods: The Comparative Toxicogenomics Database was used to screen the Colonic Neoplasms targets.Through KABOX and DAVID the pathway enrichment and GO function were analyzed. The key targets of Colonic Neoplasms were analyzed by using STRING along with Cytoscape. Through the SYBYL2.1.1 the interaction between active components and key targets of P.ginseng were studied, Physicochemical properties of key chemical constituents of P.ginseng preliminary was screened by AdmetSAR. Results: 174 targets for Colonic Neoplasms were found. Tumor necrosis factor(TNF),p53 tumor protein(TP53),proto-oncogene MYC protein(MYC),vascular endothelial growth factor A(VEGFA),epidermal growth factor receptor(EGFR),matrix metalloproteinase-9(MMP9),transcription factor AP-1(JUN) are the core targets.Among 190 chemical constituents of P.ginseng, 103 chemical constituents were well combined with MYC proto-oncogene protein and vascular endothelial growth factor A(Total-Score>5). Ginsenoside,volatile oil and alcohols are the key active ingredients for prevention and treatment of colonic cancer. Conclusion: Screening the active ingredients and key targets of ginseng against colonic cancer,to provide scientific reference for the discovery and development of new drugs targeting the prevention and treatment of colon cancer from P.ginseng.

关 键 词：人参 分子对接 化学成分 结肠癌 

分 类 号：R285[医药卫生—中药学]