Jin Wen, Li Bin, Zhang Lu, Sun Chenyang, Liu Yiping
Department of Gynecology, Shaanxi Provincial People's Hospital, Xi'an, China.
Int J Genomics. 2025 May 30;2025:9956789. doi: 10.1155/ijog/9956789. eCollection 2025.
The aim of this study was to systematically analyze the role of in the treatment of cervical cancer (CC) and its underlying mechanisms by means of network pharmacology and molecular docking. is a traditional Chinese herbal medicine used for the treatment of malaria and cancers, but its mechanism of action in CC is unknown. The objective of the study is screening of active chemical constituents of by Traditional Chinese Medicine Systems Pharmacology (TCMSP) database and investigating their potential targets involved in CC therapy. The GeneCards database was used for the disease targets of CC, the drug-compound-disease target network was constructed by using the Cytoscape 3.8.0 software. Then, the key targets in the protein-protein interaction (PPI) network were identified, and the "clusterProfiler" was used for the Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analysis. The qRT-PCR, CCK-8, and flow cytometry were used to assess the expression levels of specific target genes in CC cells, as well as their effects on cell proliferation, apoptosis, and reactive oxygen species (ROS) levels, respectively. Protein-compound complex analysis was performed using molecular dynamics simulation. A total of 15 active compounds and their 86 treatment targets were obtained from the analysis, in which 51 target genes were associated with the CC-related disease targets. Then, a PPI analysis identified 12 key genes (including , , , , , , , , , , , and ) that were related to oxidative stress, PI3K-Akt, IL-17, p53, and JAK-STAT pathways, inflammatory response, and apoptosis pathways. In addition, showed upregulation at the mRNA level in SiHa cells, and the knockdown of significantly reduced the proliferation of CC cells and increased apoptosis and ROS levels. Molecular docking and dynamics simulations revealed a close binding between the active compounds and targets. The present research comprehensively examined the active compounds, potential targets, and pathways of in CC treatment, providing a novel insight for CC treatment.
本研究旨在通过网络药理学和分子对接系统分析[具体药物名称未给出]在宫颈癌（CC）治疗中的作用及其潜在机制。[具体药物名称未给出]是一种用于治疗疟疾和癌症的传统中药，但其在CC中的作用机制尚不清楚。本研究的目的是通过中药系统药理学（TCMSP）数据库筛选[具体药物名称未给出]的活性化学成分，并研究其参与CC治疗的潜在靶点。使用GeneCards数据库获取CC的疾病靶点，利用Cytoscape 3.8.0软件构建药物-化合物-疾病靶点网络。然后，确定蛋白质-蛋白质相互作用（PPI）网络中的关键靶点，并使用“clusterProfiler”进行基因本体论（GO）和京都基因与基因组百科全书（KEGG）分析。采用qRT-PCR、CCK-8和流式细胞术分别评估CC细胞中特定靶基因的表达水平，以及它们对细胞增殖、凋亡和活性氧（ROS）水平的影响。使用分子动力学模拟进行蛋白质-化合物复合物分析。通过[具体分析方法未给出]共获得15种活性化合物及其86个治疗靶点，其中51个靶基因与CC相关疾病靶点相关。然后，PPI分析确定了12个关键基因（包括[具体基因名称未给出]），这些基因与氧化应激、PI3K-Akt、IL-17、p53和JAK-STAT途径、炎症反应和凋亡途径有关。此外，[具体基因名称未给出]在SiHa细胞的mRNA水平上呈上调，敲低[具体基因名称未给出]显著降低了CC细胞的增殖，并增加了凋亡和ROS水平。分子对接和动力学模拟揭示了活性化合物与靶点之间的紧密结合。本研究全面考察了[具体药物名称未给出]在CC治疗中的活性化合物、潜在靶点和途径，为CC治疗提供了新的见解。
