特产研究2024，Vol.46Issue(3)：30-41,46,13.DOI:10.16720/j.cnki.tcyj.2024.079
基于网络药理学及分子对接探讨半枝莲半边莲药对治疗肺癌的作用机制
Exploring the Mechanism of Scutellaria Barbata-Lonelia in the Treatment of Lung Cancer Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Exploring the Mechanism of Action of Scutellaria barbata-Lobelia in treating lung cancer through network pharmacology,mol-ecular docking,and animal experiments.The TCMSP platform was used to query the compounds of Scutellaria barbata-Lobelia pairs,and Cytoscape 3.7.2 software was used to draw the component-target network diagrams.GeneCards and OMIM databases were used to query the lung cancer targets,and STRING,the interaction database platform,was used to analyze the interactions between target proteins.Con-struct a diagram of the interaction between core active ingredients,core targets,and key pathways,and perform molecular docking between core active ingredients and targets.Male SD rats were randomly divided into a blank group,a model group,and a traditional Chinese medi-cine group(6.3g/kg),with 6 rats in each group.A lung cancer rat model was established by intratracheal infusion of carcinogenic iodized oil solution.Pathological examination to verify whether the modeling was successful;western blot was used to detect the expression of p-PI3K,p-Akt,EGFR,and IL-6 proteins in tumor tissue.Analysis shows that there are 44 active ingredients and 108 corresponding targets,respectively,and the main effective active ingredients were quercetin,kaempferol,luteolin,wogonin,baicalein and so on.A total of 2,057 lung cancer targets were identified,and the Venny diagram showed 74 intersecting targets.The target proteins with higher values in PPI net-work,which were IL-6,EGFR,CASP3,ESRI,MYC,VEGFA,CCND1,MAPK8.GO analysis showed that it is mainly enriched in multiple biological processes,molecular functions,and cellular components.The analysis of KEGG signaling pathway showed that it was mainly en-riched in TNF signaling pathway,PI3K-Akt signaling pathway,p53 signaling pathway and other pathways.The component-target-pathway network diagram shows that the Scutellaria barbata-Lobelia pairs may be composed of quercetin,kaempferol,luteolin,wogonin,baicalein,etc.,which exert their therapeutic effects by acting on target proteins,such as IL-6,EGFR,CCND1,MYC,VEGFA,MAPK8,etc.,as well as by regulating the pathways such as PI3K-AKT signaling pathway,MAPK signaling pathway and so on.Which play a therapeutic role in lung cancer.The molecular docking results showed that IL-6 had a good binding ability with quercetin,and EGFR,MYC,and CCND1 had a good binding ability with baicalein.Western blot results showed that compared with the model group,the expression of p-PI3K,p-Akt,EGFR,and IL-6 proteins in the tumor tissues of the rats in the traditional Chinese medicine group were significantly decreased(P＜0.05).The Scutellaria barbata-Lobelia medicinal pair can exert therapeutic effects on lung cancer through multiple active ingredients,multiple tar-gets and multiple pathways,this study provides a theoretical basis for further in-depth mechanism research in the future.关键词
网络药理学/半枝莲-半边莲/肺癌/PI3K-Akt信号通路Key words
Network pharmacology/Scutellaria barbata-Lobelia/lung cancer/PI3K-Akt signaling pathway分类
医药卫生引用本文复制引用
庞雪莹,赵欣华,韩笑,张俐佳,刘业,王业伟..基于网络药理学及分子对接探讨半枝莲半边莲药对治疗肺癌的作用机制[J].特产研究,2024,46(3):30-41,46,13.基金项目
中国博士后科学基金"地区专项支持计划"项目(2002MD713752) （2002MD713752）
黑龙江省中医药管理局项目(ZHY2020-099、ZHY18-059) （ZHY2020-099、ZHY18-059）
