基于网络药理学与分子对接探索白花蛇舌草治疗喉癌的机制  

Exploring the mechanism of Hedyotis diffusa in the treatment of laryngeal carcinoma based on network pharmacology and molecular docking

作　　者：李代英 尹吉 何露 胡文健 LI Dai-ying;YIN Ji;HE Lu(Southwest Medical University,Luzhou 646000,China;不详)

机构地区：[1]西南医科大学,四川泸州646000 [2]西南医科大学附属中医医院耳鼻咽喉科,四川泸州646000

出　　处：《中国处方药》2022年第3期1-5,共5页Journal of China Prescription Drug

摘　　要：目的采用网络药理学和分子对接探索白花蛇舌草治疗喉癌的机制。方法通过检索中药系统药理学数据库与分析平台(TCMSP)筛选出白花蛇舌草药物的活性成分以及相关靶基因蛋白,通过DisGenet、OMIM、NCBI、GeneCards数据库获取喉癌相关靶基因。用疾病靶基因交集与对应药物活性成分构建活性成分-靶基因相互作用网络,并对交集基因进行GO功能富集分析和KEGG通路富集分析。最后将核心靶基因与活性成分进行分子对接验证。结果从白花蛇舌草中分离得到4个活性成分和62个可能与相关靶基因,拓扑分析得到TP53、AKT1、MYC、VEGFA、CASP3、ESR1、EGFR、CCND1、PTGS2、MAPK1等10个核心靶基因。对靶基因的GO分析表明,白花蛇舌草活性成分可能通过调节多种生物学过程,如对类固醇激素的反应、调节凋亡信号通路和上皮细胞增殖,对喉癌的治疗产生协同作用;KEGG通路富集分析筛选得到20条与喉癌相关通路,主要涉及microrna、癌症中的蛋白多糖、PI3K-Akt信号通路、卡波济肉瘤相关疱疹病毒感染和MAPK信号通路等。分子对接结果表明槲皮素与EGFR具有良好的结合力,表明了白花蛇舌草抗肿瘤作用的网络药理学分析结果。结论本研究对白花蛇舌草治疗喉癌的多成分、多靶基因、多通路的作用与机制进行初步探讨,以期为后续基础研究提供参考,为临床应用提供理论依据。Objective To explore the mechanism of Hedyotis diffusa in the treatment of laryngeal carcinoma by network pharmacology and molecular docking.Methods The active components and related target gene proteins of Hedyotis diffusa were selected by searching the database and analysis platform of traditional Chinese medicine systems pharmacology(TCPSP),and the target genes of laryngeal carcinoma were obtained by DisGenet,OMIM,NCBI and Genecards.Target-gene interaction network was constructed by cross-linking of disease target genes and corresponding active components of drugs,and the cross-linking genes were analyzed by GO enrichment and KEGG pathway enrichment.Finally,the core target genes and the active components were identified by molecular docking.Results Four active components and 62 potential target genes were isolated from Hedyotis diffusa.Ten core target genes,including TP53,Akt1,Myc,VEGFA,CASP3,ESR1,EGFR,CCND1,PTGS2,MAPK1,were identified by topological analysis.The GO analysis of the target gene indicated that the active components of Hedyotis diffusa may play a synergistic role in the treatment of laryngeal carcinoma by regulating a variety of biological processes,such as response to steroid hormone,regulation of apoptotic signaling pathways and epithelial cell proliferation;20 laryngeal carcinoma related pathways were identified by KEGG pathway enrichment analysis,including microrna,proteoglycan in cancer,PI3K-Akt pathway,Kaposi’s sarcoma related herpesvirus infection and MAPK pathway.Molecular docking results showed that quercetin and EGFR have a good binding force,indicating the anti-tumor effect of Hedyotis diffusa network pharmacological analysis results.Conclusion The purpose of this study is to explore the role and mechanism of multicomponent,multi-target gene and multi-pathway of Hedyotis diffusa in the treatment of laryngeal carcinoma,so as to provide reference for the following basic research and theoretical basis for clinical application.

关 键 词：白花蛇舌草 喉癌 网络药理学 分子对接 机制 

分 类 号：R285[医药卫生—中药学]