中医临床研究2025，Vol.17Issue(11)：1-7,7.DOI:10.3969/j.issn.1674-7860.2025.11.001
基于网络药理学和数据挖掘探讨中药调控铁死亡干预皮肤光老化的用药研究
Exploring the medication rule of Chinese medicine on skin photoaging by regulating ferroptosis based on network pharmacology and data mining
摘要
Abstract
Objective:Skin photoaging and ferroptosis are both related to reactive oxygen species accumulation in vivo,at the same time,ferroptosis can aggravate skin photoaging.At present,many Chinese herbal components have antioxidant effects.However,there is no systematic TCM data analysis for photoaging and ferroptosis.In this study,network pharmacology and molecular docking technology were used to explore the medication for photoaging and ferroptosis.Methods:GeneCards,GeneCLiP3,and FerrDb databases were utilized to obtain strongly correlated targets of ferroptosis,and targets of photoaging diseases were obtained through the GeneCards database.The intersection of the two was gained to obtain targets related to skin photoaging and ferroptosis.The protein-protein interaction analysis was performed on targets related to photoaging and ferroptosis,and targets with a degree value≥2 times the median were selected to obtain relevant compounds and Chinese medicines through TCMSP.Cytoscape 3.10.1 software was used to construct potential target-compound network and target-compound-Chinese medicine network.Pharmacopoeia of the People's Republic of China(2020)was utilized to identify the top 10 Chinese medicines to conduct an analysis of their nature,flavour and classification,and meridian tropisms,and the relevant data was imported into Cytoscape 3.10.1 to create a core Chinese medicine nature and flavour,and meridian tropism diagram.Molecular docking was used to verify the binding activity of targets with compounds and core components of Chinese medicine.Results:A total of 490 targets related to photoaging and ferroptosis were identified,and 31 potential strong related targets with a degree value≥2 times the median were obtained.A total of 93 compounds and 342 traditional Chinese herbs were screened out.GO and KEGG analyses suggested that photoaging and ferroptosis were primarily associated with responses to nutrient levels and mitophagy.The analysis of the nature and flavour,and meridian tropism of core Chinese medicines indicated that the top 10 Chinese medicines in terms of degree value primarily belonged to the lung meridian,with a predominantly bitter flavour.Molecular docking suggested that AKT1 binded best with luteolin,while AR binded relatively poorly with quercetin.The binding energies were all less than-5 kcal/mol,indicating good binding activity between the ligand and the receptor.Conclusion:This study starts from the targets of skin photoaging and ferroptosis,excavates the Chinese medicine and medication regulation for ferroptosis and intervention of skin photoaging,and also explores the relevant mechanism of skin photoaging and ferroptosis,which can provide reference for the related research of skin photoaging and ferroptosis.关键词
网络药理学/数据挖掘/光老化/铁死亡/中草药Key words
Network pharmacology/Data mining/Photoaging/Ferroptosis/Chinese medicinal herb分类
医药卫生引用本文复制引用
吴爱林,常俊杰,狄伟..基于网络药理学和数据挖掘探讨中药调控铁死亡干预皮肤光老化的用药研究[J].中医临床研究,2025,17(11):1-7,7.基金项目
贵州省中医药管理局中医药、民族医药科学技术研究课题(QZYY-2021-099) （QZYY-2021-099）
贵州省卫生健康委科学技术基金项目(gzwkj2022-330). （gzwkj2022-330）
