芪蛭通窍胶囊“异病同治”前列腺增生症和慢性前列腺炎的网络药理作用机制及分子对接  

Mechanisms of Qizhi Tongqiao Capsule in Treatment of Benign Prostatic Hyperplasia and Chronic Prostatitis with the Concept of"Homotherapy for Heteropathy"Based on Network Pharmacology and Molecular Docking

作　　者：赵凡 叶妙勇 颜俊锋 白强民 姜卓呈 马利民[1] 马兰 张春和[5] ZHAO Fan;YE Miaoyong;YAN Junfeng;BAI Qiangmin;JIANG Zhuocheng;MA Limin;MA Lan;ZHANG Chunhe(Affiliated Hospital of Nantong University,Nantong226001,China;The Affiliated Wenling Hospital of Wenzhou Medical University,Wenling317599,China;Affiliated Zhejiang Hospital Zhejiang University School of Medicine,Hangzhou310013,China;Qujing Maternal and Child Health-care Hospital,Qujing655000,China;Yunnan Provincial Hospital of Traditional Chinese Medicine,Kunming650021,China)

机构地区：[1]南通大学附属医院,江苏南通226001 [2]温州医科大学附属温岭医院,浙江温岭317599 [3]浙江大学医学院附属浙江医院,浙江杭州310013 [4]曲靖市妇幼保健院,云南曲靖655000 [5]云南省中医医院,云南昆明650021

出　　处：《云南中医药大学学报》2023年第6期87-97,共11页Journal of Yunnan University of Chinese Medicine

基　　金：国家自然科学基金资助项目(82274533,82104855,82004360);中华中医药学会青年人才托举工程项目(2023-QNRC2-B21);浙江省中医药科技计划项目(2024ZL200);云南省中医药基础研究联合专项青年项目(202301AZ070001-171);南通市基础科学研究青年科技人才创新专项(JC12022077);台州市社会发展类科技计划项目(22ywb130);温岭市社会发展科技项目(2022S00124);南通大学附属医院博士科研启动基金项目(Tdb2006,Tdb2127);南通大学附属医院“青蓝工程”项目(赵凡&马利民)。

摘　　要：目的 基于网络药理学和分子对接技术探讨芪蛭通窍胶囊(QTC)异病同治前列腺增生症(BPH)和慢性前列腺炎(CP)的作用机制。方法 基于TCMSP、BATMAN、PubChem及Swiss Target Prediction数据库搜集、获取QTC活性成分及相应靶点、GeneCards数据库预测BPH和CP靶点基因,利用Venny 2.1.0获取交集靶点、Cytoscape 3.10.1构建“药物-成分-靶点-疾病”可视化网络图,基于STRING数据库构建蛋白质互作(PPI)网络后导入Cytoscape输出核心靶点、Metascape数据库进行基因本体(GO)功能及京都基因与基因组百科全书(KEGG)通路富集分析,最后进行分子对接测试。结果 共获得QTC活性成分70个,包括槲皮素等;“药物-疾病”交集靶点214个。QTC可能作用于前列腺组织缺氧和炎症微环境,干预缺氧诱导因子-1α(HIF-1α)、信号转导和转录激活因子3(STAT3)、白细胞介素-6(IL-6)等多个靶点,调控核因子-κB(NF-κB)、磷脂酰肌醇3-激酶(PI3K)、HIF-1α等多条相关途径。分子对接结果显示槲皮素与8个核心靶点均具有较好的结合能。结论 QTC可能通过多靶点、多信号途径改善前列腺组织缺氧、炎症微环境而对BPH和CP发挥异病同治作用,但尚需在进一步研究中予以验证。Objective To explore the mechanisms of Qizhi Tongqiao capsule(QTC)in treatment of benign prostatic hyperplasia(BPH) and chronic prostatitis(CP) with the concept of "homotherapy for heteropathy" based on network pharmacology and molecular docking. Methods The active components and relevant targets of QTC were collected and obtained from TCMSP, BATMAN, PubChem, and Swiss Target Prediction database. Target genes of BPH/CP were predicted based upon GeneCards database. Intersectional targets were calculated by utilizing Venny 2.1.0. Cytoscape 3.10.1 was used to establish visual network diagram of "drug-ingredient-target-disease". Protein-protein interaction(PPI) network was constructed via STRING database and then input into Cytoscape for outputting key targets. Gene oncology (GO) function and kyoto encyclopedia of genes and genomes (KEGG) pathways enrichment analysis was conducted through Metascape database. Molecular docking was tested lastly. Results A total of seventy active components of QTC were obtained, quercetin, etc. included. There were 214 intersectional targets of "drug-disease". QTC could act in hypoxic and inflammatory micro-environment of prostatic tissue, upon several targets, such as HIF-1α, STAT3, IL-6 and so on, and regulate several relevant signaling pathways, such as NF-Κb, PI3K, HIF-1α and so on. Molecular docking indicated that quercetin had a good binding energy with all core targets. Conclusion QTC may act a "homotherapy for heteropathy" role in treating BPH and CP through ameliorating prostatic hypoxia and inflammation via various targets and signaling pathways. Nevertheless, much more studies should be further conducted to test and verify.

关 键 词：芪蛭通窍胶囊 前列腺增生症 慢性前列腺炎 异病同治 网络药理学 分子对接 缺氧 炎症 

分 类 号：R277.5[医药卫生—中医学]