首页|利用网络药理学和分子对接技术分析"猫爪草-冬凌草"对肝癌的治疗作用机制

利用网络药理学和分子对接技术分析"猫爪草-冬凌草"对肝癌的治疗作用机制

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目的 利用网络药理学和分子对接技术对猫爪草与冬凌草进行分析,探讨其治疗原发性肝癌的作用机制。方法 基于对中药系统药理学数据库和分析平台(TCMSP)与传统中药百科全书(ETCM)数据库的检索,掌握有关药物的有效成分与其作用靶点,借助有机小分子生物活性数据库(PubChem)以及小分子药物预测作用靶点平台(Swiss Target Prediction)的支持下,收集一系列肝癌的靶点。参照蛋白互作数据库(STRING)进行药物与肝癌的蛋白互作(PPI)网络的构建。在将网络系统应用于探索药物的抗癌过程和作用机理的同时,结合Cytoscope 3。9。1 软件成功构建"成分-靶点-通路"体系,并借助Metascape功能实现对共同靶点和京都基因与基因组百科全书(KEGG)通路的富集处理。此外,利用分子模拟软件AutoDock展开活性成分与关键靶点间分子对接情况的探究,获取所需的系列研究成果。结果 筛选出冬凌草与猫爪草的有效活性成分分别有23、9个;两味药的药物靶点总共1020个,共同交集靶点299个;药物和肿瘤疾病共有26个常见靶点。KEGG通路的富集显示,药物靶点涉及的通路主要有癌症通路、脂质与动脉粥样硬化通路、PI3K-Akt信号通路等。结论 猫爪草与冬凌草相须配伍,具有多成分、多靶点、多通路的作用特点,能协同发挥抗肝癌作用,为后续机制研究提供了切实可行的参考依据。
Analysis of the mechanism of action of the treatment of"Ranunculi ternati radix-Rabdosia rubescens"on liver cancer using network pharmacology and molecular docking technology
Objective To analyze the effects of Ranunculi ternati radix and Rabdosia rubescens by using network pharmacology and molecular docking technology in this article and explore the mechanism of action of drugs in the treatment of primary liver cancer.Methods Based on the retrieval of the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP)and the the encyclopedia of traditional Chinese medicine(ETCM)database,the effective ingredients and their action targets of the relevant drugs were grasped.With the support of Pubchem and the Swiss Target Prediction,a series of liver cancer targets were collected.A protein-protein interaction(PPI)network between drugs and liver cancer was constructed based on the STRING database.By combining the Cytoscope 3.9.1 software,while active ingredients and key targets,and to obtain the required series of research results.Results There were 23 and 9 effective active ingredients screened out from Rabdosia rubescens and Ranunculi ternati radix,respectively.There were a total of 1020 drug targets for the two drugs,with 299 common intersecting targets.There were a total of 26 common targets for drugs and tumor diseases.The enrichment of the KEGG pathway showed that the pathways involved in drug targets mainly included the micronucleus pathway in cancer,lipid and atherosclerosis pathway,PI3K-Akt signaling pathway,etc.Conclusion The combination of Ranunculi ternati radix and Rabdosia rubescens can synergistically exert anti-liver cancer effects,with the characteristics of the multi-ingredient,multi-target,and multi-pathway action,providing a practical and feasible reference basis for subsequent mechanism research.

Ranunculi ternati radixNetwork pharmacologyRabdosia rubescensMolecular dockingPrimary liver cancer

杨青斌、徐静、李进、司维群、刘静、吴佳龙

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贵州中医药大学,贵州贵阳 550000

贵州中医药大学第二附属医院肿瘤科,贵州贵阳 550000

猫爪草 网络药理学 冬凌草 分子对接 原发性肝癌

贵州省科技计划

黔科合支撑[2020]4Y156号

2024

中国医药科学
海峡两岸医药卫生交流协会 二十一世纪联合创新(北京)医药科学研究院

中国医药科学

影响因子:1.083
ISSN:2095-0616
年,卷(期):2024.14(5)
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