| 谷佳,贺卫和,刘乐平,刘超,王文茂,王炜,覃丽.基于网络药理学和分子对接探究二氢杨梅素调脂抗肝癌的作用.[J].中南医学科学杂志.,2022,(6):791-795. |
| 基于网络药理学和分子对接探究二氢杨梅素调脂抗肝癌的作用 |
| Exploring the effect of dihydromyricetin in regulating lipid metabolism against liver cancer based on network pharmacology and molecular docking |
| 投稿时间：2022-04-04 修订日期：2022-07-28 |
| DOI：10.15972/j.cnki.43-1509/r.2022.06.003 |
| 中文关键词: 二氢杨梅素 脂质代谢 肝癌 网络药理学 分子对接 [ |
| 英文关键词:dihydromyricetin lipid metabolism liver cancer network pharmacology molecular docking |
| 基金项目:国家自然科学基金项目(81973668)；湖南乾坤生物科技有限公司莓茶资源综合利用科技专项计划；长沙市科技局科研计划项目(kq2004060)；湖南省教育厅重点项目(20A375)；湖南省卫生健康委员会重点指导课题(202213055529)；湖南中医药大学药学一流学科项目(2021YX06)；湖南中医药大学研究生科研创新课题(2021CX48) 作者简介:谷佳,硕士研究生,研究方向为中医药防治肿瘤,E-mail为583767721@qq.com。通信作者覃丽,博士,教授,博士研究生导师,研究方向为肿瘤、心血管疾病的发病机制及其中医药防治,E-mail为lqin@hnucm.edu.cn。 |
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| 中文摘要: |
| 目的应用网络药理学和分子对接方法探究二氢杨梅素调脂抗肝癌的作用。 方法SwissTarget、TargetNet、TCMSP数据库预测二氢杨梅素的潜在靶点,GeneCards、OMIM、TTD数据库获得肝癌和脂质代谢的相关基因。采用Venny 2.1.0得到二氢杨梅素调脂抗肝癌的相关靶点,STRING数据库、Cytoscape软件对相关靶点相互作用网络进行可视化分析。采用Rstudio软件对相关靶点进行GO和KEGG富集分析,利用PyMol 2.5.1和Autodock Vina软件对核心靶点基因进行分子对接验证。 结果共获得二氢杨梅素作用靶点179个,脂质代谢相关基因427个及肝癌相关基因1 246个。二氢杨梅素调脂抗肝癌的潜在靶点15个,核心靶点基因9个,主要涉及卵巢类固醇生成、类固醇激素生物合成、化学致癌物-受体激活等通路。核心靶点基因与二氢杨梅素具有较好结合性。 结论二氢杨梅素可能通过作用于9个核心靶点影响生物学过程,调节关键通路从而发挥其调脂抗肝癌作用。 |
| 英文摘要: |
| To explore the effects of dihydromyricetin in regulating lipid metabolism against liver cancer based on network pharmacology and molecular docking methods. MethodsSwissTarget, TargetNet and TCMSP databases were used to predict the potential targets of dihydromyricetin, and GeneCards, OMIM and TTD databases were used to obtain the related genes of liver cancer and lipid metabolism. Venny 2.1.0 was used to obtain the relevant targets of dihydromyricetin for lipid metabolism regulation against liver cancer, STRING database and Cytoscape software were used to visualize and analyze the relevant target interaction network. Rstudio software was used for GO and KEGG enrichment analysis of related targets, and PyMol 2.5.1 and Autodock Vina software were used for molecular docking validation of core target genes. Results179 dihydromyricetin action targets, 427 genes related to lipid metabolism and 1 246 genes related to liver cancer were obtained. Dihydromyricetin has 15 potential targets and 9 core target genes, mainly involved in ovarian steroidogenesis, steroid hormone biosynthesis, chemical carcinogenesis-receptor activation and other pathways. The binding energy results of the core target genes with dihydromyricetin had good binding properties. ConclusionDihydromyricetin may exert its lipid metabolism regulating and anti-liver cancer effect by affecting biological processes and regulating key pathways through acting on nine core targets. |
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