二至丸治疗脂溢性脱发的生物信息学研究

Investigating the mechanism of Erzhi pill for the treatment of seborrheic alopecia based on network pharmacology and molecular docking

基于网络药理学和分子对接探讨二至丸治疗脂溢性脱发的作用机制.通过TCMSP数据库检索和收集二至丸的药物成分信息,通过Disgenet,TTD,OMIM,Genecards,Drugbank等数据库收集脂溢性脱发相关疾病靶点,利用Swiss Target Prediction预测药物活性成分靶点,并获取活性药物成分和疾病的共同靶点,运用String数据库、Cytoscape3.7.2软件构建PPI网络图,通过Metas⁃cape数据库进行GO生物注释和KEGG通路富集分析,并用Cytoscape3.7.2进行可视化,构建靶点和通路网络图.收集并筛选到二至丸活性成分15个、靶点170个,与脂溢性脱发相关的靶点533个,共同靶点44个,其中AKT1、VEGFA、IL6、TNF、PPARG、ERBB2、ESR1的相互作用最显著,其参与了RNA聚合酶Ⅱ启动子调控、癌症通路、脂质与动脉粥样硬化、糖尿病并发症中的AGE-RAGE信号通路、PI3K-Akt信号通路、IL-17信号通路、前列腺癌、膀胱癌、肿瘤坏死因子信号通路、癌症中的蛋白聚糖等147条信号通路.二至丸可以通过抑制体内炎症发生,改善毛囊细胞氧化应激反应,调节脂质和滋补肝肾、促进头皮局部血管新生等机制治疗脂溢性脱发,体现出了二至丸在治疗脂溢性脱发上的多成分、多靶点,多通路的药效特点.

This study aims to explore the mechanism of action of Erzhi pill in the treatment of seborrheic alopecia based on network pharmacology and molecular docking.The drug composition information of Erzhi pill was searched and collect⁃ed through TCMSP database,the disease targets related to seborrheic alopecia were collected through Disgenet,TTD,OMIM,Genecards,Drugbank and other databases,the active drug composition targets were predicted using Swiss Target Prediction,and the active drug composition and The PPI network map was constructed using String database and Cyto⁃scape 3.7.2 software,GO bioannotation and KEGG pathway enrichment analysis were performed by Metascape database and visualized by Cytoscape 3.7.2 to construct the target and pathway network map.Ths results are as follows:fifteen ac⁃tive ingredients and 170 targets were collected and screened for Erzhi pill,533 targets related to seborrheic alopecia and 44 common targets,among which AKT1,VEGFA,IL6,TNF,PPARG,ERBB2,ESR1 had the most significant interactions,which were involved in,cancer pathway,lipid and atherosclerosis,AGE⁃RAGE signalling pathway in diabetic complica⁃tions,PI3K⁃Akt signalling pathway,IL⁃17 signalling pathway,prostate cancer,bladder cancer,tumour necrosis factor sig⁃nalling pathway,proteoglycan in cancer and 147 other signalling pathways.Er Zhi Wan can treat seborrheic alopecia by inhibiting inflammation in vivo,improving the oxidative stress response of hair follicle cells,regulating lipids and nouris⁃hing the liver and kidney,and promoting local vascularization of the scalp,reflecting the multi⁃component,multi⁃target and multi⁃pathway pharmacological characteristics of Er Zhi Wan in the treatment of seborrheic alopecia.