| 朱梦蕾,金晟玥,卢易扬,方晓红.基于网络药理学和分子对接探讨何氏清腑导痰汤治疗多囊卵巢综合征伴胰岛素抵抗的作用机制[J].浙江中西医结合杂志,2026,36(5): |
| 基于网络药理学和分子对接探讨何氏清腑导痰汤治疗多囊卵巢综合征伴胰岛素抵抗的作用机制 |
| Exploring the mechanism of He’s Qingfudaotan Formula in treating polycystic ovary syndrome associated with insulin resistance based on network pharmacology and molecular docking |
| 投稿时间：2025-02-25 修订日期：2026-03-07 |
| DOI： |
| 中文关键词: 多囊卵巢综合征 胰岛素抵抗 何氏清腑导痰汤 网络药理学 分子对接 |
| 英文关键词:polycystic ovary syndrome insulin resistance He's Qingfudaotan Formula Network pharmacology Molecular docking |
| 基金项目:杭州市医药卫生科技项目(编号：ZD20250119) |
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| 中文摘要: |
| 目的：基于网络药理学和分子对接探讨何氏清腑导痰汤治疗多囊卵巢综合征伴胰岛素抵抗的作用机制。方法：通过数据库ETCM、TCMSP、Batman、Pubchem、SwissADM、Swiss TargetPrediction获得何氏清腑导痰汤靶点，从Genecards 、OMIM网站下载多囊卵巢综合征、胰岛素抵抗基因，应用STRING数据库构建PPI蛋白互作网络；利用David数据库对何氏清腑导痰汤作用于多囊卵巢综合征伴胰岛素抵抗的潜在靶点进行GO、KEGG通路分析；应用分子对接方法对何氏清腑导痰汤主要活性成分和关键作用靶点进行对接。结果：筛选到主要活性成分5,7,2'-三羟基-6-甲氧基黄酮、齿叶黄皮素、反亚麻酸、亚麻籽酸及吴茱萸次碱，关键靶点EGFR、HSP90AA1、AKT1、SRC、ESR1，主要信号通路包括糖尿病并发症中的AGE-RAGE信号通路、雌激素信号通路、IL-17信号通路、Th17细胞分化以及JAK-STAT信号通路，分子对接显示主要活性成分和关键靶点之间均自发结合，且形成稳定的氢键。结论：何氏清腑导痰汤能够通过多成分、多靶点、多通路共同发挥治疗多囊卵巢综合征伴胰岛素抵抗的作用。 |
| 英文摘要: |
| Objective: To explore the mechanism of He's Qingfudaotan Formula in treating polycystic ovary syndrome(PCOS) with insulin resistance(IR) based on network pharmacology and molecular docking. Methods: The targets of He's Qingfudaotan Formula were obtained from databases such as ETCM,TCMSP,Batman,PubChem,SwissADME and Swiss Target Prediction.Genes related to PCOS and insulin resistance were downloaded from GeneCards and OMIM. The STRING database was used to construct a protein-protein interaction (PPI) network.The Metascape database was utilized for Gene Ontology(GO) and Kyoto Encyclopedia of Genes and Genomes(KEGG) pathway analysis of potential targets of He's Qingfudaotan Formula in PCOS with insulin resistance. Molecular docking was performed to analyze the interaction between the main active components of He's Qingfudaotan Formula and key target proteins. Results: The main active components identified were 5,7,2'-Trihydroxy-6-Methoxyflavone,Dentatin,Elaidolinolenic Acid,Linseed Acid, Rutaecarpine.Key targets included EGFR,HSP90AA1,AKT1,SRC and ESR1. The primary signaling pathways involved AGE-RAGE signaling pathway in diabetic complications, Estrogen signaling pathway, IL-17 signaling pathway, Th17 cell differentiation, JAK-STAT signaling pathway. Molecular docking demonstrated spontaneous binding between the main active components and key targets, forming stable hydrogen bonds. Conclusion: He's Qingfudaotan Formula exerts therapeutic effects on PCOS with insulin resistance through multiple components, targets and pathways. |
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