苍耳子配伍辛夷治疗变应性鼻炎的网络药理学探究

Mechanism of Xanthii Fructus and Magnoliae Flos in Treating Allergic Rhinitis Based on network pharmacology

目的基于网络药理学探究苍耳子配伍辛夷对治疗变应性鼻炎的有效活性成分及其靶点的可能机制。方法检索中药系统药理学数据库与分析平台(TCMSP),把口服利用度(OB)≥30%,类药性(DL)≥0.18作为筛选条件,可获得苍耳子及辛夷各自有效活性化合物和相作用靶点。在UniProt数据库中,将药物作用靶点的基因名称转换,然后在人类孟德尔遗传数据库OMIM和人类基因数据库Genecards、NCBI和PGAK四个数据库中检索变应性鼻炎相关的靶基因,与苍耳子及辛夷两种药物中活性成分的靶基因取交集筛选出靶点,再利用Cytoscape 3.7.1软件建立活性成分-靶点网络,将共同靶点通过在线String Version 11数据库进行其靶蛋白相互作用(PPI)的网络构建,并利用R平台对靶点进行京都基因与基因组百科全书(KEGG)信号通路和基因本体(GO)富集分析。结果筛选出苍耳子配伍辛夷的19个活性成分和18个抗变应性鼻炎靶点,其抗变应性鼻炎作用可能与半胱天冬酶(CASP)、B淋巴细胞瘤-2(BCL2)、雌激素受体(ESR1)、MYC原癌基因、糖原合酶激酶(GSK3B)等基因有关。此外,其作用的靶点显著富集于PI3K-Akt、甲状腺激素、细胞凋亡、结直肠癌、乙型肝炎等相关的信号通路中。结论苍耳子配伍辛夷能够多靶点、多途径、多通路调控生物分子网络来治疗变应性鼻炎。

Objective To explore the mechanism of Xanthii Fructus and Magnoliae Flos on the effective active components and targets in treating allergic rhinitis based on network pharmacology.Method The active components and potential targets of Xanthii Fructus and Magnoliae Flos were predicted and screened?by retrieving through TCMSP database(oral used to bioavailability≥30%and druglike properties≥0.18).Moreover,UniProt database was unify the terms of potential targets,and the related target genes of allergic rhinitis were retrieved from Genecards,OMIM,NCBI and PGAK databases.Common targets of active components and allergic rhinitis were obtained.In addition,the active ingredient-target network was established using Cytoscape 3.7.1 software.Finally,the key targets were input into String Version 11 database for the protein-protein interaction(PPI)network,and the R platform was used for Kyoto Encyclopedia of Genes and Genomes(KEGG)signal pathway and gene ontology(GO)enrichment analysis.Results 19 active components and 18 anti-allergic rhinitis targets of Xanthii Fructus and Magnoliae Flos were selected,and its anti-allergic rhinitis may be related to caspase(CASP),B-cell lymphoma-2(BCL2),estrogen receptor 1(ESR1),MYC proto-oncogene and glycogen synthase kinase 3 beta(GSK3B).In addition,anti-allergic rhinitis targets of Xanthii Fructus and Magnoliae Flos significantly enriched in PI3K-AKT,thyroid hormone,apoptotic,and disease-related signaling pathways,such as colorectal cancer,and hepatitis B.Conclusion Xanthii Fructus and Magnoliae Flos can regulate biomolecular networks by multiple targets and pathways to treat allergic rhinitis.