摘要
目的基于网络药理学研究复方菝葜丹参擦剂治疗白癜风的作用机制,通过分子对接与体外实验进行验证。方法通过TCMSP数据库搜索复方菝葜丹参中药材的有效成分及其对应作用靶点,利用GEO、OMIM以及GeneCards等数据平台,获得白癜风疾病相关靶点,通过映射药材成分对应靶点与疾病相关靶点获得治疗疾病的潜在靶点。利用Cytoscape 3.8.0软件构建菝葜丹参与白癜风的“有效成分-潜在靶点”作用网络;通过STRING数据库建立潜在靶点间的蛋白相互作用(PPI)网络;利用R语言及其相关依赖包对潜在靶点进行GO富集分析和信号通路富集分析。通过CytoNCA拓扑分析筛选出主要活性成分与核心潜在靶点进行分子对接,验证复方菝葜丹参活性成分与疾病靶点的结合效能,通过体外药理实验探究复方提取液对黑色素细胞的作用。结果复方菝葜丹参擦剂中有106个有效成分作用于STAT3、AKT1、RELA等8个核心靶点,GO富集结果显示潜在靶点参与了氧化应激、活性氧代谢过程等反应。信号通路富集结果表明,靶点涉及AGE-RAGE通路、Th17细胞分化等多条信号通路。分子对接结果显示,复方主要活性成分与核心靶点结合紧密。复方菝葜丹参对黑色素细胞有较好的促增殖作用,其中有效成分木樨草素对酪氨酸酶激活作用较强,芒柄花素可提高黑素含量。结论复方菝葜丹参擦剂是多种成分通过多种途径作用到多靶点对白癜风产生的治疗作用,其中丹参与鸡血藤为君药,木樨草素与芒柄花素为重要活性成分。
Objective Based on network pharmacology,the mechanism of action of compound Smilax China Salvia miltiorrhiza liniment in the treatment of vitiligo was studied and verified based on molecular docking and in vitro experiments.Methods Search TCMSP database for the effective ingredients and corresponding targets of the compound Smilax China Salvia miltiorrhiza traditional Chinese medicine.Use data platforms such as GEO,OMIM,and GeneCards to obtain vitiligo disease related the targets.By mapping the corresponding targets of the medicinal ingredients and disease related targets,potential targets for treating diseases can be obtained.Using Cytoscape 3.8.0 software to construct a“active ingredient potential target”interaction network between Smilax China Salvia miltiorrhiza and vitiligo.Establishing protein interaction(PPI)networks between the potential targets through STRING database.Conducting GO enrichment analysis and signal pathway enrichment analysis on potential targets with using R language and its related dependency packages.Through CytoNCA topology analysis,the main active ingredients were screened by molecular docking with the core potential targets and verified the binding efficiency of the active ingredients of the compound Smilax China Salvia miltiorrhiza with the disease targets.The effect of the compound extract on melanocytes were explored through in vitro pharmacological experiments.Results There were 106 active ingredients in the compound Smilax China Salvia miltiorrhiza liniment that act on 8 core targets such as STAT3,AKT1,RELA,etc.The GO enrichment results showed that potential targets were involved in reactions such as oxidative stress and reactive oxygen species metabolism.The enrichment results of signal pathways indicated that the target involves multiple signal pathways,such as the AGE-RAGE pathway and Th17 cell differentiation.The molecular docking results showed that the main active ingredients of the compound were closely bound to the core target.Compound Smilax China Salvia miltiorrhiza
作者
赛力克阿拉·阿里汗
曹仕辰
木合布力·阿布力孜
麦合苏木·艾克木
艾克白尔·买买提
赵婷婷
Sailikeala Alihan;CAO Shichen;Mourboul Ablise;Maihesumu Aikemu;Aikebaier Maimaiti;ZHAO Tingting(College of Pharmacy,Xinjiang Medical University,Urumqi 830017,China;College of Uighur Traditional Medicine,Xinjiang Medical University,Urumqi 830017,China)
出处
《新疆医科大学学报》
CAS
2023年第4期513-521,共9页
Journal of Xinjiang Medical University
基金
中央引导地方科技发展专项资金项目(02072243)。
关键词
复方菝葜丹参擦剂
白癜风
中药配方
网络药理学
体外细胞实验
药理活性
compound Smilax and Salvia miltiorrhiza liniment
vitiligo
traditional Chinese medicine formula
network pharmacology
in vitro cell experiments
pharmacological activity
