Department of Gynaecology, Tongde Hospital of Zhejiang Province, Hangzhou, China.
Medicine (Baltimore). 2024 Jun 7;103(23):e38440. doi: 10.1097/MD.0000000000038440.
Network pharmacology and molecular docking methods were used in the present study to clarify the molecular mechanism of two traditional Chinese medicine prescriptions of climacteric syndrome. Based on oral availability and drug similarity, the main active components of Erzhi Pill and Erxian Decoction were screened through the platform of traditional Chinese medicine system pharmacology. The target database of climacteric syndrome was established by using GENECARD, OMIM, PharmGKB, Targets and Drugbank. The "component - target" network diagram was constructed using Cytoscape software (version 3.8.2). Topology analysis, module analysis, and GO and KEGG enrichment analyses were used to explore the core target and action pathway of Erzhi Pill-Erxian Decoction for treating climacteric syndrome of same disease with different treatments. There were 16 active components and 103 corresponding targets found in Erzhi Pill; 69 active components and 121 corresponding targets were found in Erxian Decoction; and 100 potential targets were found in Erzhi Pill and Erxian Decoction. Through network analysis, topology and module analysis, TP53, AKT1, Jun, ESR1, IL1B, CASP3, MMP9, PTGS2, HIF1A, MYC and EGFR could be considered as potential targets of the 2 prescriptions for alleviating climacteric syndrome. The effects of Erzhi pill and Erxian Decoction on climacteric syndrome are mainly in the pathway of lipid and atherosclerosis, AGE-RAGE signaling pathway and PI3K-Akt signaling pathway in diabetic complications. The active components in Erzhi Pill - Erxian Decoction, such as quercetin, show considerable potential as a candidate drug for the treatment of climacteric syndrome.
本研究采用网络药理学和分子对接方法,阐明了两种治疗更年期综合征的中药方剂的分子机制。基于口服生物利用度和药物相似性,通过中药系统药理学平台筛选二至丸和二仙汤的主要活性成分。利用 GENECARD、OMIM、PharmGKB、Targets 和 Drugbank 建立更年期综合征的靶标数据库。使用 Cytoscape 软件(版本 3.8.2)构建“成分-靶标”网络图。通过拓扑分析、模块分析、GO 和 KEGG 富集分析,探讨二至丸-二仙汤治疗同病异治更年期综合征的核心靶标和作用途径。二至丸中发现 16 个活性成分和 103 个相应靶标;二仙汤中发现 69 个活性成分和 121 个相应靶标;二至丸和二仙汤中发现 100 个潜在靶标。通过网络分析、拓扑和模块分析,TP53、AKT1、Jun、ESR1、IL1B、CASP3、MMP9、PTGS2、HIF1A、MYC 和 EGFR 可被视为这两种方剂缓解更年期综合征的潜在靶标。二至丸和二仙汤对更年期综合征的作用主要在脂质和动脉粥样硬化通路、糖尿病并发症的 AGE-RAGE 信号通路和 PI3K-Akt 信号通路中。二至丸-二仙汤中的活性成分,如槲皮素,显示出作为治疗更年期综合征候选药物的相当大的潜力。