基于网络药理学和分子对接的金英胶囊治疗慢性盆腔炎的多靶点多机制识别柳柳简怀玉皮聪颖魏成龙王子曦

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《临床用药研究》( ISSN3105-6741、EISSN3105-675X )

发布者：Quest Press

发布日期：2026/1/11

10.12479/questpress-lcyyyj.20250217

Open Access

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基于网络药理学和分子对接的金英胶囊治疗慢性盆腔炎的多靶点多机制识别

柳柳简怀玉皮聪颖魏成龙王子曦

1.湖南女子学院，湖南长沙，410000 2.中南大学湘雅药学院，湖南长沙，400013

摘要：目的：本研究基于网络药理学方法，探讨金英胶囊治疗慢性盆腔炎（ChronicPelvicInflammatoryDisease，CPID）的多靶点、多机制作用，并结合分子对接技术验证其潜在作用机制。方法：通过TCMSP数据库筛选金英胶囊的活性成分，并结合ADMETlab3.0和SwissADME进行药代动力学评估。采用SwissTargetPrediction预测潜在靶点，并在GeneCards、DisGeNET和OMIM数据库中筛选慢性盆腔炎相关靶点。利用Venny2.1.0分析交集靶点，并构建化合物－靶点网络。采用STRING数据库分析蛋白-蛋白互作（PPI）网络，并进行GO和KEGG富集分析。最后，通过AutoDockVina进行分子对接，验证关键活性成分与核心靶点的结合能力。结果：筛选出金英胶囊的211种活性成分，预测其涉及1043个潜在靶点。经交集分析得到680个慢性盆腔炎相关靶点，并构建了化合物－靶点网络。PPI分析筛选出核心靶点GRM5、HSD3B1、ADK、SLC6A3、AMPD1和HTR2A。GO分析表明这些靶点主要涉及蛋白质磷酸化、染色质重塑和细胞凋亡等生物过程，KEGG分析揭示了其可能作用于炎症和免疫相关通路。分子对接结果表明，关键活性成分与核心靶点具有较好的结合能力。结论：金英胶囊可能通过多成分－多靶点-多通路协同作用，调节炎症反应、免疫调节及神经信号通路，从而发挥治疗慢性盆腔炎的作用。本研究为金英胶囊的现代化研究及临床应用提供了理论依据。
关健词：金英胶囊；慢性盆腔炎；网络药理学；多靶点作用；分子对接

Multi-Target and Multi-Mechanism Identification Study of Jinying Capsule in Treating Chronic Pelvic Inflammatory Disease Based on Network Pharmacology and Molecular Docking

Liu Liu Huaiyu Jian Congying Pi Chenglong Wei Zixi Wang
1.Hunan Women’s University，Changsha，Hunan 410000，China 2.Xiangya School of Pharmaceutical Sciences，Central South University，Changsha，Hunan 410013，China

Abstract：Objective: This study aimed to investigate the multi-target and multi-mechanism therapeutic effects of Jinying Capsule on chronic pelvic inflammatory disease（CPID）using network pharmacology and molecular docking to validate its potential mechanisms.Methods: Active ingredients of Jinying Capsule were screened from the TCMSP database，followed by pharmacokinetic evaluation using ADMETlab 3.0 and SwissADME. Potential targets were predicted via SwissTargetPrediction，and CPID-related targets were retrieved from GeneCards，DisGeNET，and OMIM databases. Common targets were analyzed using Venny 2.1.0 to construct a compound-target network. Protein-protein interaction（PPI）networks were analyzed via STRING，with Gene Ontology（GO）and Kyoto Encyclopedia of Genes and Genomes（KEGG） enrichment analyses. Molecular docking was performed using AutoDock Vina to validate binding affinities between key active ingredients and core targets.Results: A total of 211 active ingredients and 1，043 potential targets of Jinying Capsule were identified. Intersection analysis revealed 680 CPID-related targets，and a compound-target network was constructed. PPI analysis identified core targets（GRM5，HSD3B1，ADK，SLC6A3，AMPD1，and HTR2A）. GO analysis indicated involvement in biological processes such as protein phosphorylation，chromatin remodeling，and apoptosis，while KEGG analysis highlighted inflammatory and immune-related pathways. Molecular docking confirmed strong binding capabilities between key ingredients and core targets.Conclusion: Jinying Capsule may treat CPID through multi-component，multi-target，and multi-pathway synergistic mechanisms，regulating inflammatory responses，immune modulation，and neural signaling pathways. This study provides a theoretical foundation for modern research and clinical application of Jinying Capsule.
Keywords : Jinying Capsule；chronic pelvic inflammatory disease；network pharmacology；multi-target mechanisms；molecular docking

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