摘要
目的:基于中医“异病同治”理论,通过网络药理学及分子对接方法研究清瘟败毒饮治疗川崎病(KD)、过敏性紫癜(HSP)和系统性红斑狼疮(SLE)的作用成分、作用靶点、作用通路,为基础研究和临床运用提供理论依据。方法:将中药系统药理学数据库与分析平台(TCMSP)、中医药百科全书数据库(ETCM)筛选出的清瘟败毒饮靶点与Gencards、OMIM数据库获取的KD、HSP和SLE疾病靶点取得交集;利用String数据库、Cytoscape绘制蛋白互作图(PPI),CytoHubba分析获得核心作用靶点;利用DAVID数据库及R语言进行GO和KEGG富集分析;通过Cytoscape构建药物-成分-靶点-通路网络图,获得核心成分;利用AutoDock、PyMOL进行分子对接。结果:清瘟败毒饮中有6个有效成分通过调控38个靶点以及123条通路可同时对KD、HSP和SLE产生作用,主要是槲皮素、芹黄素、山柰酚、木犀草素、β-谷甾醇、汉黄芩素等通过白细胞介素-6、血管内皮生长因子、过氧化物酶增殖物激活受体γ等核心靶点作用脂质与动脉粥样硬化通路、癌症通路等通路从而起治疗作用;分子对接结果提示大部分靶点和成分的结合活性较好。结论:清瘟败毒饮“异病同治”KD、HSP和SLE具有多成分、多有效靶点、多通路协调作用特点,也反向证实了中医“异病同治”理论科学性和有效性,为进一步开展治疗KD、HSP和SLE基础研究和临床试验提供新的思路。
Objective:To study the active components,targets and pathways of Qingwen Baidu Decoction in the treatment of Kawasaki disease(KD),Henoch-schonlein purpura(HSP)and systemic lupus erythematosus(SLE),through the network pharmacology and molecular docking method,based on the theory of"treating different diseases with same method"in traditional Chinese medicine(TCM),so as to provide theoretical basis for basic research and clinical application for these diseases.Methods:The targets of Qingwen Baidu Decoction selected from Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)and the Encyclopedia of Traditional Chinese Medicine(ETCM)databases were intersected with KD,HSP and SLE disease targets obtained from Gencards and OMIM databases.The protein-protein interaction(PPI)diagram was drawn by using String database and Cytoscape,and the core targets were obtained by CytoHubba analysis.DAVID database and R language were used to conduct GO and KEGG enrichment analysis.Core components were obtained by constructing drug-componenttarget-pathway network diagram through Cytascape.AutoDock and PyMOL were used for molecular docking.Results:There were six active components in Qingwen Baidu Decoction that can simultaneously affect KD,HSP and SLE by regulating 38 targets and 123 pathways.Mainly Quercetin,Apigenin,Kaempferol,Luteolin,β-sitosterol,Baicalin,which played the therapeutic role by acting on lipid and atherosclerosis pathways,cancer pathways and other pathways through the core targets such as interleukin-6,vascular endothelial growth factor,and peroxidase proliferatorsγ,etc.The molecular docking results suggested that most of the targets and components have good binding activity.Conclusion:The"treating different diseases with same method"for KD,HSP,and SLE of Qingwen Baidu Decoction have the characteristics of multiple components,multiple effective targets,and coordinated effects of multiple pathways.It also confirms the scientific and effective nature of the TCM theory of"treating differe
作者
吴邹平
李鲜慧
黄秋琪
吉训超
WU Zouping;LI Xianhui;HUANG Qiuqi;JI Xunchao(The First Clinical Medical School of Guangzhou University of Chinese Medicine,Guangzhou Guangdong 510405,China;The Eighth Clinical Medical School of Guangzhou University of Chinese Medicine,Foshan Guangdong 528051,China;The First Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangzhou Guangdong 510405,China)
出处
《新中医》
CAS
2023年第15期8-16,共9页
New Chinese Medicine
基金
佛山市自筹经费类科技计划项目(2020001005156)。
关键词
川崎病
过敏性紫癜
系统性红斑狼疮
清瘟败毒饮
异病同治
网络药理学
分子对接
Kawasaki disease
Henoch-schonlein purpura
Systemic lupus erythematosus
Qingwen Baidu Decoction
Treating different diseases with same method
Network pharmacology
Molecular mechanism
