网络药理学结合分子对接对五指毛桃治疗慢性支气管炎的研究  

Study on the treatment of chronic bronchitis with Ficus hirta Vahl using network pharmacology and molecular docking

作　　者：罗宏礼 莫荣华 LUO Hongli;MO Ronghua(Department of Pharmacy,University Town Hospital,Guangdong Traditional Chinese Medicine Hospital,Guangzhou 510405,China)

机构地区：[1]广东省中医院大学城医院药剂科,广州510405

出　　处：《中国处方药》2025年第4期6-11,共6页Journal of China Prescription Drug

摘　　要：目的探究网络药理学和分子对接对五指毛桃治疗慢性支气管炎的有关物质基础和相关的药理作用机制。方法通过检索各类数据库,获得五指毛桃的药物靶点及慢性支气管炎的基因疾病靶点,构建蛋白质-蛋白质相互作用(PPI)网络,利用R语言软件对核心靶点进行基因本体(GO)功能富集分析和京都基因与基因组百科全书(KEGG)通路富集分析,以探索五指毛桃治疗慢性支气管炎的可能生物学功能和主要的信号通路,并通过分子对接检验其结合活性。结果五指毛桃治疗慢性支气管炎的主要核心活性成分有环桑色烯(Cyclomorusin)、栀子黄素B(Gardenin B)、金合欢素(Acacetin)、芹菜素(Apigenin)、桔皮素(Tangeretin)等;主要核心靶点有丝氨酸/苏氨酸蛋白激酶(AKT1)、表皮生长因子受体(EGFR)、B淋巴细胞瘤-2基因(BCL2)、雌激素受体(ESR1)、肉瘤病毒蛋白(SRC)、前列腺素G/H合酶2(PTGS2);主要涉及前列腺癌(Prostate cancer)、磷脂酰肌醇3-激酶/AKT(PI3K-Akt)信号通路、缺氧诱导因子-1(HIF-1)信号通路、EGFR酪氨酸激酶抑制剂抵抗、化学致癌-受体激活(Chemical carcinogenesis-receptor activation)、脂质和动脉粥样硬化(Lipid and atherosclerosis)、胰腺癌(Pancreatic cancer)、大鼠肉瘤蛋白(Ras)信号通路、内分泌抵抗(Endocrine resistance)、糖尿病并发症中的高级糖基化终末产物-受体(AGE-RAGE)信号通路等。结论五指毛桃对慢性支气管炎的治疗效应具有多成分、多靶点、多通路的特征,在不同层次上产生多点作用,是相互联系、共同作用、多层调控的结果。Objective To explore the molecular basis and associated pharmacological mechanisms of Ficus hirta Vahl in the treatment of chronic bronchitis using network pharmacology and molecular docking.Methods To identify the drug targets of Ficus hirta Vahl and the gene disease targets of chronic bronchitis in various databases,construct a protein-protein interaction(PPI)network,perform Gene Ontology(GO)function enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis of the core targets using R language software to explore the possible biological functions and main signaling pathways of Ficus hirta Vahl in the treatment of chronic bronchitis,and verify its binding activity through molecular docking.Results The main core active ingredients of Ficus hirta Vahl for the treatment of chronic bronchitis are Cyclomorusin,Gardenin B,Acacetin,Apigenin,and Tangeretin.The main core targets are AKT1,EGFR,BCL2,ESR1,SRC,and PTGS2.The involved pathways include Prostate cancer,PI3K-Akt signaling pathway,HIF-1 signaling pathway,EGFR tyrosine kinase inhibitor resistance,Chemical carcinogenesis-receptor activation,Lipid and atherosclerosis,Pancreatic cancer,Ras signaling pathway,Endocrine resistance,and AGE-RAGE signaling pathway in diabetic complications.Conclusion The therapeutic effect of Ficus hirta Vahl on chronic bronchitis is characterized by its multi-component,multi-target and multi-pathway.It produces multi-point actions at different levels,which are the result of interactions,joint actions and multi-layer regulation.

关 键 词：五指毛桃 慢性支气管炎 分子对接 网络药理学 信号通路 

分 类 号：R285[医药卫生—中药学]