南京中医药大学学报2026，Vol.42Issue(1)：65-78,14.DOI:10.14148/j.issn.1672-0482.2026.0065
基于网络药理学、分子对接和实验验证探究散寒化湿方治疗呼吸道合胞病毒肺炎的作用机制
Exploring the Mechanism of Sanhan Huashi Formula in Treating Respiratory Syncytial Virus Pneumonia Based on Network Pharmacology,Molecular Docking,and Experimental Validation
摘要
Abstract
OBJECTIVE To investigate the therapeutic mechanism of Sanhan Huashi Formula(SHF)in treating respiratory syn-cytial virus(RSV)pneumonia through a combination of network pharmacology,molecular docking,and animal experiments.METHODS An in vivo prototype component library of SHF was constructed through literature retrieval.RSV-related disease targets were obtained from multiple disease databases and differentially expressed genes from GEO datasets.A Protein-Protein Interaction(PPI)network and a"component-target"network were established to screen for core targets and components.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were performed using the Metascape platform.Molecular docking and molecular dynamics simulations were conducted to validate the core components and targets.Fifty-four Balb/c mice were randomly divided into a blank control group,a model group,a ribavirin group,and low-,medium-,and high-dose SHF groups.An RSV pneumonia mouse model was established through nasal instillation.The blank group and the model group were given ultrapure wa-ter,while the mice in the remaining groups were administered corresponding medicinal solutions via oral gavage,continuously for three days.HE staining and inflammation scoring were used to observe pathological changes in lung inflammation.RT-qPCR was employed to detect the mRNA expression levels of IL-1β,ZO-1,Claudin-5,and PI3K.Western blot was used to examine the proteins expres-sion of PI3K,p-PI3K in lung tissue.RESULTS A total of 29 effective active components and 541 drug-related targets were identi-fied.Topological analysis screened five core components:magnolignan C,magnolignan A,magnoflorine,honokiol,and magnolol,along with two core targets:PIK3CB and PIK3CD.KEGG enrichment analysis showed significant enrichment of the PI3K-Akt signaling path-way.Molecular docking and molecular dynamics simulation analysis showed that the five core components(magnolignan C,magnolig-nan A,magnoflorine,honokiol,and magnolol)all had high binding energies(<-7.0 kcal·mol-1)with the two core targets PIK3CB and PIK3CD,indicating stable binding between the core targets and components.Animal experiments demonstrated that SHF significantly improved the pathological condition of lung tissue inflammation in mice,reduced the mRNA expression levels of IL-1β and PI3K(P<0.01),increased the mRNA expression levels of ZO-1 and Claudin-5(P<0.05,P<0.01),and decreased the ratios of p-PI3K/PI3K(P<0.01).CONCLUSION SHF can inhibit the secretion of inflammatory factors,enhance the alveolar barrier,and suppress the activa-tion of the PI3K-Akt signaling pathway,effectively improving RSV-induced pathological damage to lung inflammation.关键词
散寒化湿方/分子对接/肺部感染/呼吸道合胞病毒/网络药理学/PI3K-Akt信号通路/上皮屏障Key words
Shanhan Huashi Formula/molecular docking/lung infection/respiratory syncytial virus/network pharmacology/PI3K-Akt signaling pathway/epithelial barrier分类
医药卫生引用本文复制引用
邱玺瑞,朱钰晴,王敏华,纪建建..基于网络药理学、分子对接和实验验证探究散寒化湿方治疗呼吸道合胞病毒肺炎的作用机制[J].南京中医药大学学报,2026,42(1):65-78,14.基金项目
国家重点研发计划项目(2023YFC2308200) （2023YFC2308200）
江苏省中医药学会科研项目攀登计划项目(PDJH2024030) （PDJH2024030）
江苏省中医流派研究院重点课题(LPZD2025012) （LPZD2025012）
江苏省高等学校基础科学(自然科学)研究重大项目(22KJA360004) （自然科学）
