Lyu Xiaoyue, Shen Chun, Fang Yumin, Zhao Ying
Guangzhou University of Chinese Medicine, Guangzhou, Guangdong Province, PR China.
The First Affiliated Hospital, Guangzhou University of Chinese Medicine, Guangzhou, Guangdong Province, PR China.
Medicine (Baltimore). 2025 Feb 28;104(9):e41729. doi: 10.1097/MD.0000000000041729.
Jiawei Shoutai Pill is a traditional Chinese medicine formulation used clinically by physicians to treat diminished ovarian reserve (DOR) with positive outcomes. This study aimed to explore the potential pharmacological mechanisms of Jiawei Shoutai Pill in treating DOR by using network pharmacology methods. The effective compounds from traditional Chinese medicine were collected from the TCMSP, SYMmap, and PubChem, and the corresponding targets were retrieved from PubChem, Swiss Target Prediction, and DrugBank. Additionally, targets for DOR were obtained from GeneCards and Online Mendelian Inheritance in Man databases. Subsequently, multiple networks were constructed and gene enrichment analysis was performed using Cytoscape3.9.0 software. Molecular docking and molecular dynamics simulations were conducted based on previous research results. After screening, 72 active compounds and 292 target genes of Jiawei Shoutai Pill (excluding duplicate target genes) were identified, resulting in 1371 target genes related to the disease. A total of 149 cross-target genes were identified between the drug and disease targets. Kyoto encyclopedia of genes and genomes and gene ontology analyses emphasized the various gene functions and signaling pathways involved in treating DOR. Further molecular docking and dynamics simulations partially confirmed the practicality of the action Jiawei Shoutai Pill in vivo. The pharmacological effect of the Jiawei Shoutai Pill on DOR may be related to the PI3K-AKT, TNF, and lipopolysaccharide pathways. This study paves the way for further research on the mechanism of action of the Jiawei Shoutai Pill.
加味寿胎丸是临床医生用于治疗卵巢储备功能减退（DOR）且疗效良好的一种中药制剂。本研究旨在运用网络药理学方法探索加味寿胎丸治疗DOR的潜在药理机制。从中药系统药理学数据库（TCMSP）、中药整合药理学平台（SYMmap）和化学物质数据库（PubChem）收集中药有效成分，并从PubChem、瑞士靶点预测数据库和药物银行（DrugBank）检索相应靶点。此外，从基因卡片数据库（GeneCards）和人类孟德尔遗传在线数据库（Online Mendelian Inheritance in Man）获取DOR的靶点。随后，构建多个网络并使用Cytoscape3.9.0软件进行基因富集分析。基于先前的研究结果进行分子对接和分子动力学模拟。筛选后，确定了加味寿胎丸的72种活性成分和292个靶基因（不包括重复的靶基因），得到与该疾病相关的1371个靶基因。在药物和疾病靶点之间共鉴定出149个交叉靶基因。京都基因与基因组百科全书（Kyoto encyclopedia of genes and genomes）和基因本体分析强调了治疗DOR所涉及的各种基因功能和信号通路。进一步的分子对接和动力学模拟部分证实了加味寿胎丸在体内作用的实用性。加味寿胎丸对DOR的药理作用可能与PI3K-AKT、肿瘤坏死因子（TNF）和脂多糖途径有关。本研究为进一步研究加味寿胎丸的作用机制铺平了道路。
