基于网络药理学与分子对接研究四逆散治疗肝癌的作用机制

目的联合网络药理学-分子对接研究四逆散治疗肝癌的作用机制。方法运用中药系统药理学数据库和分析平台 (TCMSP) 获取四逆散的化合物及靶标,通过Uniprot获取对应的基因Symbol;从人类基因数据库获取肝癌的疾病基因,并筛选出与四逆散靶标基因的交集基因;运用Cytoscape3.7.1软件绘制"中药-化合物-治疗靶标"网络图;运用STRING构建蛋白质相互作用 (PPI) 网络、R studio软件对治疗靶标进行GO和KEGG富集分析,并对结果进行可视化;选择靶点数目最多的活性成分作为配体,PPI网络中度值 (Degree) 最大的靶点作为受体,预测受体-配体复合物结构...

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Published inLinchuang gandanbing zazhi Vol. 36; no. 9; pp. 1998 - 2004
Main Authors 李菁, 莫嘉浩, 许洪彬, 朱俊霞, 史佩玉, 邢万里, 钟崇, 林丽珠
Format Journal Article
LanguageChinese
Published Changchun Journal of Clinical Hepatology 01.09.2020
湖南中医药大学第一附属医院肿瘤科,长沙410007%广州中医药大学第二临床医学院,广州510405%广州中医药大学第一临床医学院,广州510000%广州中医药大学第一附属医院,广州510000
广州中医药大学第一临床医学院,广州510000
Subjects
Genes
Kinases
Ligands
Liver cancer
Pharmacology
Proteins
Traditional Chinese medicine
肝肿瘤
分子对接模拟
网络药理学
四逆散
Online AccessGet full text
ISSN1001-5256
2097-3497
DOI10.3969/j.issn.1001-5256.2020.09.018

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Abstract 目的联合网络药理学-分子对接研究四逆散治疗肝癌的作用机制。方法运用中药系统药理学数据库和分析平台 (TCMSP) 获取四逆散的化合物及靶标,通过Uniprot获取对应的基因Symbol;从人类基因数据库获取肝癌的疾病基因,并筛选出与四逆散靶标基因的交集基因;运用Cytoscape3.7.1软件绘制"中药-化合物-治疗靶标"网络图;运用STRING构建蛋白质相互作用 (PPI) 网络、R studio软件对治疗靶标进行GO和KEGG富集分析,并对结果进行可视化;选择靶点数目最多的活性成分作为配体,PPI网络中度值 (Degree) 最大的靶点作为受体,预测受体-配体复合物结构与相互结合的氨基酸残基。结果研究筛选得到四逆散治疗肝癌核心靶标91个,相关活性成分141种,其中槲皮素、山柰酚等为四逆散治疗肝癌的主要活性成分; TP53、HSP90AA1等是治疗主要作用靶标; GO富集分析后共获得符合筛选标准的条目1007条,主要涉及抗氧化反应、蛋白丝氨酸-苏氨酸激酶活性调控、细胞应激反应等多个生物过程,KEGG富集分析共获得102条,主要调控乙型肝炎通路、PI3K-Akt信号通路以防治肝癌,分子对接结果验证...
AbstractList 目的联合网络药理学-分子对接研究四逆散治疗肝癌的作用机制。方法运用中药系统药理学数据库和分析平台 (TCMSP) 获取四逆散的化合物及靶标,通过Uniprot获取对应的基因Symbol;从人类基因数据库获取肝癌的疾病基因,并筛选出与四逆散靶标基因的交集基因;运用Cytoscape3.7.1软件绘制"中药-化合物-治疗靶标"网络图;运用STRING构建蛋白质相互作用 (PPI) 网络、R studio软件对治疗靶标进行GO和KEGG富集分析,并对结果进行可视化;选择靶点数目最多的活性成分作为配体,PPI网络中度值 (Degree) 最大的靶点作为受体,预测受体-配体复合物结构与相互结合的氨基酸残基。结果研究筛选得到四逆散治疗肝癌核心靶标91个,相关活性成分141种,其中槲皮素、山柰酚等为四逆散治疗肝癌的主要活性成分; TP53、HSP90AA1等是治疗主要作用靶标; GO富集分析后共获得符合筛选标准的条目1007条,主要涉及抗氧化反应、蛋白丝氨酸-苏氨酸激酶活性调控、细胞应激反应等多个生物过程,KEGG富集分析共获得102条,主要调控乙型肝炎通路、PI3K-Akt信号通路以防治肝癌,分子对接结果验证...
R735.7; 目的 联合网络药理学-分子对接研究四逆散治疗肝癌的作用机制.方法 运用中药系统药理学数据库和分析平台(TCMSP)获取四逆散的化合物及靶标,通过Uniprot获取对应的基因Symbol;从人类基因数据库获取肝癌的疾病基因,并筛选出与四逆散靶标基因的交集基因;运用Cytoscape3.7.1软件绘制"中药-化合物-治疗靶标"网络图;运用STRING构建蛋白质相互作用(PPI)网络、R studio软件对治疗靶标进行GO和KEGG富集分析,并对结果进行可视化;选择靶点数目最多的活性成分作为配体,PPI网络中度值(Degree)最大的靶点作为受体,预测受体-配体复合物结构与相互结合的氨基酸残基.结果 研究筛选得到四逆散治疗肝癌核心靶标91个,相关活性成分141种,其中槲皮素、山柰酚等为四逆散治疗肝癌的主要活性成分;TP53、HSP90AA1等是治疗主要作用靶标;GO富集分析后共获得符合筛选标准的条目1007条,主要涉及抗氧化反应、蛋白丝氨酸-苏氨酸激酶活性调控、细胞应激反应等多个生物过程,KEGG富集分析共获得102条,主要调控乙型肝炎通路、PI3K-Akt信号通路以防治肝癌,分子对接结果验证槲皮素-TP53的VAL147、CYS220、GLU221、PRO222等晶体结构域的协同抗癌效应.结论 本研究揭示了四逆散作用于多靶点、多信号通路治疗肝癌的作用机制,为生物实验提供理论基础.
Author 许洪彬
莫嘉浩
林丽珠
史佩玉
朱俊霞
钟崇
李菁
邢万里
AuthorAffiliation 广州中医药大学第一临床医学院,广州510000;湖南中医药大学第一附属医院肿瘤科,长沙410007%广州中医药大学第二临床医学院,广州510405%广州中医药大学第一临床医学院,广州510000%广州中医药大学第一附属医院,广州510000
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ZHU Junxia
XU Hongbin
ZHONG Chong
LIN Lizhu
MO Jiahao
SHI Peiyu
LI Jing
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分子对接模拟
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四逆散
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湖南中医药大学第一附属医院肿瘤科,长沙410007%广州中医药大学第二临床医学院,广州510405%广州中医药大学第一临床医学院,广州510000%广州中医药大学第一附属医院,广州510000
广州中医药大学第一临床医学院,广州510000
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Snippet 目的联合网络药理学-分子对接研究四逆散治疗肝癌的作用机制。方法运用中药系统药理学数据库和分析平台 (TCMSP) 获取四逆散的化合物及靶标,通过Uniprot获取对应的基...
R735.7; 目的 联合网络药理学-分子对接研究四逆散治疗肝癌的作用机制.方法 运用中药系统药理学数据库和分析平台(TCMSP)获取四逆散的化合物及靶标,通过Uniprot获取对应的基...
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SubjectTerms Genes
Kinases
Ligands
Liver cancer
Pharmacology
Proteins
Traditional Chinese medicine
Title 基于网络药理学与分子对接研究四逆散治疗肝癌的作用机制
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