浙江农业学报 ›› 2020, Vol. 32 ›› Issue (10): 1855-1865.DOI: 10.3969/j.issn.1004-1524.2020.10.15

• 农产品质量安全 • 上一篇    下一篇

决明子抗氧化作用机制的网络药理学分析

李磊, 赵花金, 伍子焘, 李升和, 姜锦鹏, 刘畅*   

  1. 安徽科技学院 动物科学学院,农业农村部猪肉质量安全控制重点实验室,动物营养调控与健康安徽省重点实验室,安徽 凤阳 233100
  • 收稿日期:2020-04-23 出版日期:2020-10-25 发布日期:2020-11-16
  • 通讯作者: *刘畅,E-mail:liuchang052@126.com
  • 作者简介:李磊(1984—),男,内蒙古呼和浩特人,博士,副教授,主要从事兽医药理学与毒理学研究。E-mail:leilee_1984@163.com
  • 基金资助:
    国家自然科学基金(31802242); 安徽省自然科学基金(2008085QC146); 安徽省教育厅高校自然科学研究重点项目(KJ2017A503,KJ2017A504); 安徽省高校优秀青年骨干人才国外访问研修项目(gxgwfx2019047); 安徽科技学院人才引进项目(ZRC2014447); 安徽省高校协同创新项目(GXXT-2019-035); 安徽省重点研究与开发计划(202004a06020050)

Network pharmacological analysis of anti-oxidant mechanism of Cassia semen

LI Lei, ZHAO Huajin, WU Zitao, LI Shenghe, JIANG Jinpeng, LIU Chang*   

  1. Anhui Province Key Laboratory of Animal Nutritional Regulation and Health, Key Laboratory of Quality & Safety Control for Pork, Ministry of Agriculture and Rural Affairs, College of Animal Science, Anhui Science and Technology University, Fengyang 233100, China
  • Received:2020-04-23 Online:2020-10-25 Published:2020-11-16

摘要: 中药决明子抗氧化作用显著但作用机制仍不清楚,本文旨在运用网络药理学研究方法,阐释决明子的抗氧化作用机制。通过文献和中药系统数据库TCMSP获取决明子的所有化学成分,再根据口服生物利用度(oral bioavailability,OB)和类药性(drug-likeness,DL)筛选出其活性成分及其对应靶点。通过GeneCards数据库查找并预测决明子抗氧化作用靶点,将靶点导入STRING数据库构建靶点间蛋白互作关系,并使用Cytoscape软件进行可视化处理。通过DAVID数据库对靶点进行GO功能富集和KEGG通路富集分析。利用AutoDock软件对预测结果进行分子对接验证。最终共筛选出决明子抗氧化作用活性成分11个,抗氧化作用靶点34个,这些靶点主要富集于氧化还原过程(oxidation-reduction process)、正调控活性氧代谢过程(positive regulation of reactive oxygen species metabolic process)等51个生物过程,参与了乙型肝炎相关通路(hepatitis B)、p53信号通路(p53 signaling pathway)、肿瘤坏死因子信号通路(TNF signaling pathway)、非酒精性脂肪肝(non-alcoholic fatty liver disease)和癌症信号通路(pathway in cancer)等154条信号通路。分子对接证实芦荟大黄素、决明内酯等成分可与对应靶点结合,进一步验证了网络药理学预测的可靠性。本研究发现决明子可通过大黄酸、芦荟大黄素、豆甾醇、决明内酯等11种成分作用于TP53、MYC、CASP3、ESR1、JUN等34个靶点发挥抗氧化作用,反映了决明子经多靶点、多途径发挥抗氧化作用的特点,为深入研究决明子抗氧化作用机制提供了参考。

关键词: 决明子, 网络药理学, 抗氧化, 蛋白互作网络

Abstract: Cassia semen is good at anti-oxidant, however the mechanism is unknown. The aim of the study was to investigate the anti-oxidative mechanisms of Cassia semen by the network pharmacological method. According to literature mining and TCMSP database of the Chinese medicine system, all the chemical components and the targets of Cassia semen were obtained. Then, the corresponding targets and the active components were selected according to oral bioavailability (OB) and drug-likeness (DL). GeneCards database was used to identify and predict the anti-oxidative targets of Cassia semen. STRING database and Cytoscape software were used to construct protein-protein interaction network. GO and KEGG enrichment analysis was preformed through DAVID database. The predicted targets were finally confirmed by molecular docking with AutoDock software. It was found that 11 ingredients and 34 targets were involved in 51 biological process GO terms (including oxidation-reduction process, positive regulation of reactive oxygen species metabolic process) and 154 KEGG pathways (including hepatitis B, p53 signaling pathway, TNF signaling pathway, non-alcoholic fatty liver disease and pathway in cancer). The predicted targets of Cassia semen were confirmed by molecular docking, which indicated the reliability of the network pharmacology approach. In conclusion, Cassia semen, including rhein, aloe-emodin, stigmasterol, toralactone etc. Eleven active ingredients, played its anti-oxidative role by interacting with 34 targets including TP53, MYC, CASP3, ESR1, JUN etc, which suggested the characteristic of multi-targets and multi-pathways of Cassia semen and provided a reference for further investigation.

Key words: Cassia semen, network pharmacology, antioxidation, protein-protein interaction network

中图分类号: