玄参-夏枯草药对治疗桥本甲状腺炎作用机制的研究OA
Study on mechanisms of drug pair of Scrophularia-Prunella vulgaris on the treatment of Hashimoto's thyroiditis
运用网络药理学结合分子对接技术研究玄参-夏枯草药对治疗桥本甲状腺炎的机理.通过中药系统药理学数据库与分析平台(TCMSP)、通用蛋白质资源(Uniprot)、在线人类孟德尔遗传(OMIM)、GeneCards数据库选取药材有效成分靶标与疾病相关靶点,构建药物-活性成分-靶点(D-A-T)调控网络,挖掘关键靶标并进行基因本体(GO)功能注释与京都基因与基因组百科全书(KEGG)通路分析.运用分子对接验证主要成分与核心靶点结合活性.研究表明,玄参-夏枯草通过槲皮素、β-谷甾醇、山柰酚、木犀草素、芍药苷等活性物质,经AKT1、TNF、CASP3、TP53、VEGFA、IL-6 等关键靶点调节 IL-17、PI3K-Akt、TNF、HIF-1 信号传导路径.对接实验显示核心成分与核心靶点间具备稳定结合能力.通过网络药理学和分子对接技术揭示了玄参、夏枯草以多成分、多靶点、系统调节桥本甲状腺炎(Hashimoto's thyroiditis,HT)的作用机制,为进一步研究提供依据.
This study aims to explore the mechanism of Scrophularia ningpoensis-Prunella vulgaris herb pair in the treatment of Hashimoto's thyroiditis by network pharmacology and molecular docking.The active ingredient targets and disease targets of Scrophularia Radix and Prunellae Spica were screened in TCMSP,Uniprot,OMIM and GeneCards databases.The'drug-active ingredient-target'(D-A-T)network diagram was drawn,and the core targets in the network were excavated.GO function enrichment analysis and KEGG pathway enrichment analysis were performed on the core targets.Finally,molecular docking was performed to evaluate the predicted interactions between the core components and core targets.It was found that S.ningpoensis and P.vulgaris acted on AKT1,TNF,CASP3,TP53,VEGFA,IL-6 and other core targets through quercetin,β-sitosterol,kaempferol,luteolin,paeoniflorin and other core components,and regulated IL-17,PI3K-Akt,TNF,HIF-1 and other signaling pathways.The molecular docking results showed that the core components and core targets had good binding activity.In this study,network pharmacology and molecular docking techniques were used to reveal that S.ningpoensis and P.vulgaris regulate HT in a multi-component,multi-target and systematic manner,providing a basis for further research.
郅扶旻;孙士博;王岩岩;于洪宇;徐洪涛
黑龙江中医药大学附属第一医院 内分泌科,黑龙江哈尔滨 150040黑龙江中医药大学第一临床医学院,黑龙江哈尔滨 150040黑龙江中医药大学第一临床医学院,黑龙江哈尔滨 150040黑龙江中医药大学附属第一医院 内镜诊疗科,黑龙江哈尔滨 150040黑龙江中医药大学附属第一医院 内分泌科,黑龙江哈尔滨 150040
医药卫生
玄参夏枯草桥本甲状腺炎网络药理学作用机制分子对接
ScrophulariaPrunella vulgarisHashimoto's thyroiditisnetwork pharmacologymechanism of actionmolecular docking
《云南民族大学学报(自然科学版)》 2026 (4)
456-463,8
黑龙江省中医药科研项目(ZHY2022-154)黑龙江中医药大学附属第一医院国家自然科学基金培育支持计划项目(PYMS202501013).
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