基于UPLC-Q-TOF-MS和网络药理学探讨冬凌草复方增强免疫功能作用及机制
Study on the immune-enhancing effect and mechanism of Rabdosia rubescens compound based on UPLC-Q-TOF-MS and network pharmacology
刘福宇 1唐寅博 1单凯欣 1蒋鑫 1孔小莉 1黄敬旺 2张卫华 3方晓艳1
作者信息
- 1. 河南中医药大学药学院,河南郑州 450046
- 2. 河南省冬凌草工程中心,河南济源 454600
- 3. 北京中医药大学,北京 100029
- 折叠
摘要
目的:研究冬凌草复方的化学成分及其增强免疫功能的作用机制.方法:采用鸡红细胞吞噬、淋巴细胞转化、脾细胞抗体生成实验研究冬凌草复方增强小鼠免疫功能活性.运用UPLC-Q-TOF-MS对冬凌草复方化学成分进行分析鉴定.利用TCMSP、SEA和Swiss Target Prediction数据库获得化学成分靶点,通过GeneCards、OMIM和TTD数据库收集免疫相关靶点,使用Venn在线网站获得药物和疾病的交集靶点,并结合String数据库和Cytoscape软件构建核心靶点网络图.采用David数据库对核心靶点进行GO和KEGG分析,使用Cytoscape软件绘制"活性成分-靶点-通路"网络图,通过Autodock vina软件对核心靶点和关键成分进行分子对接验证.结果:与空白组相比,冬凌草复方中剂量组可明显提高小鼠腹腔巨噬细胞吞噬百分率和吞噬指数(P＜0.01)、脾淋巴细胞增殖能力(P＜0.01)和溶血空斑个数(P＜0.01),表明冬凌草复方具有增强小鼠非特异性和特异性免疫功能的作用.从复方中共鉴定120个化学成分,网络药理学获得药物关键成分为6-醛基异麦冬黄烷酮A、甲基异茜草素等,核心靶点包括AKT1、VEGFA、IL1B等,主要涉及PI3K-Akt、HIF-1、IL-17等信号通路,分子对接结果显示核心靶点与关键成分具有较好的结合活性.结论:冬凌草复方可能通过多成分、多靶点、多通路增强机体免疫功能.
Abstract
OBJECTIVE To study the chemical constituents of Rabdosia rubescens compound and its mechanism in enhanc-ing immune function.METHODS Chicken erythrocyte phagocytosis,lymphocyte transformation and splenocyte antibody pro-duction were used to study the immune function enhancement of Rabdosia rubescens compound in mice.The chemical constituents of Rabdosia rubescens compound were analyzed and identified by UPLC-Q-TOF-MS.The chemical composition targets were obtained by TCMSP,SEA and SwissTargetPrediction databases,the immune related targets were collected by GeneCards,OMIM and TTD databases,the intersection targets of drug and disease were obtained by Venn online website,and the core target network map was constructed by the combination of String database and Cytoscape software.The core targets were analyzed by GO and KEGG using David database,the"active component-target-pathway"network diagram was drawn by Cytoscape soft-ware,and the molecular docking verification of core targets and key components was carried out by Autodockvina software.RESULTS Compared with the blank group,the middle dose group of Rabdosia rubescens compound could significantly increase the phagocytic percentage and phagocytic index of peritoneal macrophages(P＜0.01),the proliferation of spleen lymphocytes(P＜0.01)and the number of hemolytic plaques(P＜0.01).The results showed that Rabdosia rubescens compound could enhance the non-specific and specific immune function of mice.A total of 120 chemical constituents were identified from the compound.The network pharmacology showed that the key components of the drug were 6-aldehyde isomalidinone A and methyl isoalizarin,etc.,and the core targets included AKT1,VEGFA and IL1B,etc.,which were mainly involved in PI3K-Akt,HIF-1,IL-17 and other signal pathways.The results of molecular docking showed that the core targets had good binding activity with the key components.CONCLUSION Rabdosia rubescens compound may enhance immune function in a multi-component,multi-target and multi-pathway manner.
关键词
冬凌草复方/免疫功能/UPLC-Q-TOF-MS/网络药理学/分子对接Key words
Rabdosia rubescens compound/immune function/UPLC-Q-TOF-MS/network pharmacology/moleculardocking引用本文复制引用
基金项目
河南省中医药科学研究专项(20-21ZY2156)
河南省科技研发计划联合基金(222301420091)
河南省成果转化项目(142201610011)
出版年
2024
NETL
NSTL
维普
万方数据