| 何佳宁,赵伟博,王佩娟.基于网络药理学及分子对接技术探讨金匮肾气丸“异病同治”多囊卵巢综合征和甲状腺功能减退的作用机制[J].安徽医药,2024,28(3):462-469. |
| 基于网络药理学及分子对接技术探讨金匮肾气丸“异病同治”多囊卵巢综合征和甲状腺功能减退的作用机制 |
| Mechanism of Jinkui Shenqi pills in treating polycystic ovary syndrome and hypothyroidism with concept of "same treatment for different diseases" based on network pharmacology and molecular docking technology |
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| DOI：10.3969/j.issn.1009-6469.2024.03.008 |
| 中文关键词: 中草药 异病同治 金匮肾气丸 网络药理学 分子对接 多囊卵巢综合征 甲状腺功能减退 |
| 英文关键词: Drugs, Chinese herbal Treating different diseases with same method Jinkui Shenqi pills Network pharmacology Molecular docking Polycystic ovary syndrome Hypothyroidism |
| 基金项目:国家自然科学基金面上项目( 82074487)；第三批江苏省名老中医药专家传承工作室建设项目(苏中医科教〔2019〕 10号)；王佩娟全国名老中医药专家传承工作室建设项目(国中医药人教函〔 2022〕75号) |
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| 中文摘要: |
| 目的以中医“异病同治”理论为依据，采用网络药理学与分子对接方法探究金匮肾气丸对多囊卵巢综合征和甲状腺功能减退的作用机制。方法自 2022年 3—10月通过中药系统药理学数据库与分析平台( TCMSP)检索获取金匮肾气丸活性成分及潜在靶点，利用 DrugBank、GeneCards数据库获取疾病靶点，将两者取交集获取共有靶点，通过 STRING11.5数据库构建蛋白质 -蛋白质相互作用( PPI)网络，使用 Cytoscape 3.7.1构建金匮肾气丸“药物 -疾病 -靶点”网络，利用 R语言对共有靶点进行富集分析，运用 SYBYL-X 2.0软件进行分子对接。结果筛选得到疾病与药物共有靶点 65个，核心靶点主要涉及血管内皮生长因子 A(VEGFA)、白细胞介素 -6(IL-6)、肿瘤坏死因子 α(TNF-α)、胱天蛋白酶 -3(CASP-3)、细胞肿瘤抗原 p53(TP53)、基质金属蛋白酶 -9(MMP-9)等，潜在靶点主要富集在 AGE-RAGE信号通路、癌症的途径、 PI3K-Akt信号通路、胰岛素抵抗、 JAK-STAT信号通路等多条信号通路中。结论金匮肾气丸中多种活性成分通过多靶点、多途径发挥抑制炎症反应及细胞凋亡、促进组织血管生成等作用，初步揭示了金匮肾气丸“异病同治”多囊卵巢综合征与甲状腺功能减退的潜在靶点与现代生物学机制，为深入研究开展实验及临床应用提供参考。 |
| 英文摘要: |
| Objective To explore the mechanism of Jinkui Shenqi pills on polycystic ovary syndrome (PCOS) and hypothyroidismbased on the theory of "same treatment for different diseases" in traditional Chinese medicine (TCM) by network pharmacology and mo.lecular docking method.Methods From March 2022 to October 2022, the active components and potential targets of Jinkui Shenqi pills were retrieved from the Traditional Chinese Medicine System Pharmacology Database and Analysis Platform (TCMSP), and the dis.ease targets were obtained from the DrugBank and GeneCards databases, and the common targets were obtained by intersection ofthem. The protein-protein interaction (PPI) networkwas constructed by STRING11.5 database, the "drug-disease-target" network of Jinkui Shenqi pills was constructed Cytoscape 3.7.1. The enrichment analysis for common targets was performed by R language, and themolecular docking was performed by SYBYL-X 2.0 software. Results There were 65 common targets for screening diseases anddrugs, and the core targets mainly involved vascular endothelial growth factor A (VEGFA), interleukin-6 (IL-6), tumor necrosis factor α (TNF-α), caspase-3 (CASP-3), cell tumor antigen p53 (TP53), matrix metalloproteinase-9 (MMP-9), etc. The potential targets were main. ly enriched in AGE-RAGE signaling pathway, cancer pathway, PI3K-Akt signaling pathway, insulin resistance, JAK-STAT signaling pathway and other signaling pathways. Conclusions Various active components in Jinkui Shenqi Pill can inhibit inflammatory re.sponse and apoptosis, and promote tissue angiogenesis through multiple targets and multiple pathways. The potential targets and mod. ern biological mechanisms of ovarian syndrome and hypothyroidism provide references for in-depth research and experimental and clin. ical applications. |
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