网络药理学与分子对接研究黄芩治疗胃癌的作用机制

IF 0.4 4区 医学 Q4 PHARMACOLOGY & PHARMACY
Ping Tang, D. Xia
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引用次数: 0

摘要

胃癌是最常见的胃肠道肿瘤之一,每年约占全球所有诊断癌症和癌症死亡率的10%。黄芩是治疗胃癌最常用的中药之一。虽然已经进行了大量的实验来破译黄芩的作用机制,但尚未完全阐明。为此,我们构建了黄芩药理与分子对接网络,以了解黄芩的作用机制。采用中药系统药理学方法对黄芩的有效成分和靶点进行了筛选。使用在线孟德尔遗传和GeneCards Suite数据库平台筛选胃癌相关靶点。利用R软件检索黄芩与胃癌的交叉靶基因。利用Cytoscape软件绘制药物-化合物基因-疾病可视化网络图。结合字符串在线分析平台构建靶点-蛋白相互作用网络,筛选核心靶点。对核心靶点进行了基因本体和京都基因百科全书的富集分析。利用PyMoL等软件验证黄芩关键活性成分与关键靶点的分子对接。我们的研究结果阐明了黄芩在胃癌治疗中的活性成分、相关靶点、生物学过程和信号通路。本研究加深了我们对半边黄芩在胃癌中的潜在作用的认识,为半边黄芩治疗胃癌提供了新的思路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Investigating the Mechanism of Scutellariae barbata Herba in the Treatment of Gastric Cancer by Network Pharmacology and Molecular Docking
Gastric cancer is one of the most common gastrointestinal tumors, annually accounting for about 10 % of all diagnosed cancers and cancer mortalities worldwide. Scutellariae barbata Herba is one of the most commonly used Chinese medicines to treat gastric cancer. Although numerous experiments have been conducted to decipher the mechanism of Scutellariae barbata Herba, it has not been fully elucidated. Therefore, we constructed a pharmacological and molecular docking network to understand the mechanism of action of Scutellariae barbata Herba. The active components and targets of Scutellariae barbata Herba were screened with traditional Chinese medicine systems pharmacology. Gastric cancer related targets were screened using online mendelian inheritance in man and GeneCards Suite database platforms. The intersection target genes of Scutellariae barbata Herba and gastric cancer were retrieved by R software. The Cytoscape software was utilized to draw a drug-compound gene-disease visualization network diagram. The string online analysis platform was incorporated to construct the target-protein interaction network for screening the core targets. Gene ontology and Kyoto encyclopedia of genes and genomes enrichment analyses were performed on the core targets. PyMoL and other software were utilized to verify the molecular docking between the key active components of Scutellariae barbata Herba and the key targets. Our results elucidate the active components, associated targets, biological processes and signaling pathways of Scutellariae barbata Herba during gastric cancer treatment. This study deepens our understanding of the potential role of Scutellariae barbata Herba in gastric cancer and provides novel ideas for treating gastric cancer using Scutellariae barbata Herba.
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来源期刊
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审稿时长
2 months
期刊介绍: The Indian Journal of Pharmaceutical Sciences (IJPS) is a bi-monthly Journal, which publishes original research work that contributes significantly to further the scientific knowledge in Pharmaceutical Sciences (Pharmaceutical Technology, Pharmaceutics, Biopharmaceutics, Pharmacokinetics, Pharmaceutical/Medicinal Chemistry, Computational Chemistry and Molecular Drug Design, Pharmacognosy and Phytochemistry, Pharmacology and Therapeutics, Pharmaceutical Analysis, Pharmacy Practice, Clinical and Hospital Pharmacy, Pharmacovigilance, Pharmacoepidemiology, Pharmacoeconomics, Drug Information, Patient Counselling, Adverse Drug Reactions Monitoring, Medication Errors, Medication Optimization, Medication Therapy Management, Cell Biology, Genomics and Proteomics, Pharmacogenomics, Bioinformatics and Biotechnology of Pharmaceutical Interest). The Journal publishes original research work either as a Full Research Paper or as a Short Communication. Review Articles on current topics in Pharmaceutical Sciences are also considered for publication by the Journal.
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