摘要
为预测罗汉果止咳化痰有效成分、潜在靶点及通路,探讨其"多成分—多靶点—多通路"的止咳化痰作用机制,首先通过TCMSP平台筛选罗汉果内13种具有止咳化痰活性的化学成分;然后利用PharmMapper筛选罗汉果止咳化痰的潜在靶点,同时借助DAVID数据库进行GO富集分析和KEGG通路注释分析;最后采用Cytoseape软件构建罗汉果止咳化痰病的"成分—靶点—通路"网络模型。结果表明,罗汉果的13个活性成分以罗汉果皂苷为主,其可能是通过HNMT,IL2,IGF1,ABO,TRAPPC3,SERPINA1,THRA等37个止咳化痰相关靶点调控Proteplycans in cancer,pathways in cancer,serotonergic synapse,Fox O signaling patheway,Glioma,Melanoma,Renin-angiotensin system等25条信号通路。此外,本文还通过SYBYL软件将罗汉果活性成分与靶点进行分子对接,进一步解析了罗汉果主要活性成分与止咳化痰靶点的作用方式,为下一步探讨其止咳化痰靶点及机制的验证实验指明了方向。
To predict the potential targets, active ingredients and pathways of Siraitia grosvnorii (Swing) C. Jeffrey for the antitussive and expectorant active process, and to uncover the underlying multi-component, multi-target, and multi-pathway mechanism, in this work, we report the establishment of a screening method based on the pharmacological network. Firstly, traditional Chinese medicine system platform (TCMSP) was used to filtrate the active components of Siraitia grosvnorii , and then the targets of the main active ingredients were further screened by the PharmMapper method. Secondly, the molecular function (GO) and biological pathway of the action targets (KEGG) were analyzed with the aid of biological information annotation databases (DAVID). Finally, the compounds-targets network was constructed by the Cytoscape software. Our results indicate that mogrosides were the major active components of Siraitia grosvnorii among 13 active major components. These major active ingredients are affecting in a total of 25 pathways (Proteplycans in cancer, pathways in cancer, serotonergic synapse, FoxO signaling patheway, Glioma, Melanoma, Renin-angiotensin system, etc.), including the 37 particular antitussive and expectorant bioactivity related targets of HNMT, IL2, GF1, ABO, TRAPPC3, SERPINA1, THRA, etc. In addition, the tight binding of active ingredients with potential protein targets was further explored by the molecular docking module from the SYBYL software. These studies fully demonstrate the multi-component, multi-target, and multi-pathway mechanism of Siraitia grosvnorii in the antitussive and expectorant process, and highlight the direction for the next step of investigations in the validation experimentation of its targets and mechanisms.
作者
吕金燕
黄嘉咏
袁彩英
霍丽妮
陈睿
严振硕
赖泽锋
LYU Jin-yan;HUANG Jia-yong;YUAN Cai-ying;HUO Li-ni;CHEN Rui;YAN Zhen-shuo;LAI Ze-feng(Pharmaceutical College, Guangxi University of Chinese Medicine, Nanning 530001, China;Faculty of Chinese Medicine Science, Guangxi University of Chinese Medicine, Nanning 530222, China;Pharmaceutical College, Guangxi Medical University, Nanning 530021, China)
出处
《湖南师范大学自然科学学报》
CAS
北大核心
2019年第1期40-48,共9页
Journal of Natural Science of Hunan Normal University
基金
广西高校中青年教师能力提升项目(KY2016YB830)
广西高校科学技术研究项目(KY2015YB514)
广西一流学科建设项目(2018XK048)
广西一流学科中药学资助项目(桂教科研[2018]12号)
壮瑶药协同创新中心资助项目(桂教科研[2013]20号)
广西壮瑶药重点实验室资助项目(桂科基字[2014]32号)
广西重点学科壮药学资助项目(桂教科研[2013]16号)
广西八桂学者中药创新理论与药效研究资助项目(J13162)
杨世林教授团队人才培养建设项目(YSL17003)
关键词
罗汉果
网络药理学
潜在靶点
止咳化痰
分子对接
Siraitia grosvnorii (Swing) C. Jeffrey
network pharmacology
potential targets
antitussive and expectorant
molecular docking