摘要
基于网络药理学探究重瓣玫瑰的皮肤抗衰机制。经中药系统药理数据库(TCMSP)并结合文献调研,筛选活性成分;经活性成分作用靶点数据库(Swiss Target Prediction)预测靶点;经功效作用靶点数据库(Genecards、OMIM)筛选氧化应激相关靶点;筛选活性成分和功效的潜在靶点;利用STRING数据库构建潜在靶点的蛋白互作网络;CytoHubba软件筛选核心靶点;利用Metascape数据库对核心靶点做生物功能注释(GO)、KEGG富集分析;利用PyMOL软件、Chem3D软件、AutoDockTools软件做分子对接验证和可视化处理。结果显示,筛选到的活性成分为花色素苷、槲皮素、没食子酸、芦丁、绿原酸、原儿茶酸、阿魏酸、金丝桃苷和鞣花酸,活性成分靶点有176个,功效作用靶点有14425个,核心靶点3个,主要通路有PI3K-Akt、ErbB、Ras和MAPK,9种成分与AKT1、TNF、EGFR均具有较稳定的结合能力。综上所述,重瓣玫瑰的9种活性成分花色素苷、槲皮素、没食子酸、芦丁、绿原酸、原儿茶酸、阿魏酸、金丝桃苷、鞣花酸作用于靶点AKT1、TNF、EGFR,通过PI3K-Akt、ErbB、Ras和MAPK通路应对氧化应激。推测重瓣玫瑰可能通过多成分、多靶点、多途径来发挥促增殖、抗凋亡、抗氧化、抗炎和抑制胶原蛋白降解等功效来应对氧化应激导致的皮肤衰老,为重瓣玫瑰在化妆品和中医药上的开发和应用提供理论基础。
Study on the skin anti-aging mechanism of rosa rugosa‘plena’based on network pharmacology.Active components were screened through the Traditional Chinese Medicine Systems Pharmacology Database(TCMSP)and combined with literature research.The putative targets of the active ingredient(s)were identified by the Swiss Target Prediction database.Oxidative stress-associated targets were comprehensively screened from the GeneCards and OMIM databases.Potential targets of active ingredients and efficacy were screened.The STRING database was used to construct the protein-protein interaction network of potential targets.The CytoHubba software was used to screen core targets.The Metascape database was utilized for biological function annotation(GO)and KEGG enrichment analysis of the core targets.The PyMOL software,Chem3D software,and AutoDockTools software were employed for molecular docking verification and visualization processing.The results showed that the screened active components were anthocyanins,quercetin,gallic acid,rutin,chlorogenic acid,protocatechuic acid,ferulic acid,hyperoside,and ellagic acid.There were 176 active component targets,14425 efficacy-related targets,and 3 core targets.The main pathways included PI3K-Akt,ErbB,Ras,and MAPK.The 9 components all had relatively stable binding abilities with AKT1,TNF,and EGFR.In conclusion,the 9 components of rosa rugosa‘plena’,namely anthocyanins,quercetin,gallic acid,rutin,chlorogenic acid,protocatechuic acid,ferulic acid,hyperoside,and ellagic acid,act on the targets AKT1,TNF,and EGFR,and respond to oxidative stress through the PI3K-Akt,ErbB,Ras,and MAPK pathways.It is hypothesized that rosa rugosa‘plena’may exert its effects of promoting proliferation,anti-apoptosis,antioxidant,anti-inflammatory,and inhibiting collagen degradation through multiple components,multiple targets,and multiple pathways to counteract oxidative stress-induced skin aging.This provides a theoretical foundation for the development and application of rosa rugosa‘plena’in cosmetics and traditional Chinese medicine.
作者
刘波
李兆明
李敏
张祥奎
郑晓阳
汤漩
王大鹏
孟祥璟
LIU Bo;LI Zhaoming;LI Min;ZHANG Xiangkui;ZHENG Xiaoyang;TANG Xuan;WANG Dapeng;MENG Xiangjing(Shandong Academy of Pharmaceutical Sciences,Jinan,Shandong 250101,China)
出处
《中国化妆品科学》
2025年第5期8-21,共14页
CHINA COSMETICS SCIENCE
关键词
重瓣玫瑰
活性成分
靶点
信号通路
网络药理学
抗衰
rosa rugosa‘plena’
active components
target
signaling pathways
network pharmacology
anti-aging
