首页|基于网络药理学及分子对接探讨山药治疗小儿消化不良性腹泻的作用机制

基于网络药理学及分子对接探讨山药治疗小儿消化不良性腹泻的作用机制

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目的 利用网络药理学和分子对接技术,探讨山药治疗小儿消化不良性腹泻的潜在作用机制.方法 通过中药系统药理学数据库与分析平台(TCMSP)筛选山药的活性成分及相关靶点,运用Genecards数据库筛选小儿消化不良性腹泻的疾病相关靶点.通过JVenn绘制韦恩图,得到山药和小儿消化不良性腹泻的共同靶点.在STRING、Cytoscape及INPUT平台中分别进行蛋白-蛋白相互作用网络的构建、药物-活性成分-靶点基因网络的构建、基因本体(GO)功能通路富集分析和京都基因与基因组百科全书(KEGG)通路富集分析.运用EzCad在线分子对接平台进行分子对接验证.结果 山药共有 19 个活性成分,小儿消化不良性腹泻有 152 个潜在靶点,两者共有 42 个共同靶点.白细胞介素-6(IL-6)、肿瘤坏死因子(TNF)、前列腺素内过氧化物合酶 2(PTGS2),、雌激素受体α(ESR1)、CC类趋化因子配体 2(CCL2)、编码NF-κB1(NF-κB1)是山药干预小儿消化不良性腹泻的潜在靶点蛋白.山药治疗小儿消化不良性腹泻的作用机制可能与 5-羟色胺能突触、钙离子信号通路、感染性疾病、缺氧诱导因子 1(HIF-1)信号通路、炎症性肠病等信号通路密切相关.结论 山药的多种活性成分通过多条信号通路干预多个潜在靶点发挥作用,体现了中药多成分、多通路、多靶点的作用特点,为探索山药治疗小儿消化不良性腹泻的作用机制提供了思路.
Mechanism of Chinese Yam in the treatment of dyspeptic diarrhea in children based on network pharmacology and molecular docking
Objective To explore the potential mechanism of Chinese Yam in the treatment of dyspeptic diarrhea in children based on network pharmacology and molecular docking.Methods The active constituents and associated targets of Chinese Yam were identified using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).The Genecards database was employed to conduct a screening of disease-associated targets for dyspeptic diarrhea in children.The Venn diagram was utilized to establish the shared target between Chinese Yam and dyspeptic diarrhea in children,employing the JVenn tool.The protein-protein interaction network,drug-active ingredient-target gene network,gene ontology functional analysis(GO),and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis were conducted using the STRING,Cytoscape,and INPUT platforms,respectively.The molecular docking verification was performed using the EzCad online molecular docking platform.Results The Chinese Yam was found to contain a total of 19 active compounds.In the context of dyspeptic diarrhea in children,a comprehensive analysis identified 152 potential targets.Notably,there were 42 targets that were commonly shared between the active ingredients in Chinese Yam and the prospective targets associated with dyspeptic diarrhea in children.Interleukin-6(IL-6),tumor necrosis factor(TNF),prostaglandin-endoperoxide synthase 2(PTGS2),estrogen receptor alpha(ESR1),chemokine ligand 2(CCL2),and nuclear factor kappa B subunit 1(NF-κB1)represent prospective protein targets for the implementation of Chinese Yam-based interventions in pediatric patients suffering from dyspeptic diarrhea.The therapeutic effects of Chinese Yam treatment in pediatric patients with dyspeptic diarrhea may be intricately linked to various signaling pathways,including the 5-hydroxytryptaminergic synapse,calcium ion signaling system,viral illnesses,hypoxia-inducible factor(HIF-1)signaling pathway,and inflammatory bowel disease.Conclusion The active constituents found in Chinese Yam exhibit the ability to interfere with various potential targets by engaging multiple signaling pathways.This characteristic aligns with the principles of Chinese traditional medicine,which emphasizes the use of multiple components,pathways,and targets.These findings offer valuable insights into the mechanism by which Chinese Yam may be effective in treating dyspeptic diarrhea in children,warranting further investigation.

Chinese YamDyspeptic diarrhea in childrenNetwork pharmacologyMolecular docking

刘秀美、张碧田

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256200 山东省邹平市人民医院

999077 香港中文大学中医中药研究所

山药 小儿消化不良性腹泻 网络药理学 分子对接

2024

中国现代药物应用
中国水利电力医学科学技术学会

中国现代药物应用

影响因子:0.862
ISSN:1673-9523
年,卷(期):2024.18(10)