Zou Hai, Chang Xiaoru, Wu Yang, Mou Xiaozhou, Fan Haojun, Lv Qi
aInstitute of Disaster and Emergency Medicine, Tianjin University, Tianjin, China.
Center for Rehabilitation Medicine, Department of Neurology, Zhejiang Provincial People's Hospital (Affiliated People's Hospital), Hangzhou Medical College, Hangzhou, Zhejiang, China.
Allergol Immunopathol (Madr). 2025 Jul 1;53(4):39-50. doi: 10.15586/aei.v53i4.1342. eCollection 2025.
The active components of honeysuckle alleviate smoke inhalation-induced lung injury by reducing inflammation and oxidative stress. This study aimed to investigate the intervention mechanism of honeysuckle blood components in smoke inhalation-induced lung injury using network pharmacology and molecular docking technology. The targets of honeysuckle blood-entering components were identified through the Swiss Target Prediction and Similarity Ensemble Approach databases. The target genes associated with smoke inhalation-induced lung injury were retrieved from the GeneCards and CTD databases. Cytoscape 3.7.1 software was employed to construct the blood component-target network of honeysuckle. GO biological process enrichment analysis of target genes related to inhalation-induced lung injury in Flos Lonicerae was performed using the DAVID tool. KEGG pathway enrichment analysis of anti-aspiration lung injury target genes in Flos Lonicera was conducted using the KOBAS 3.0 tool. The top six core targets with the highest PPIs in the network were selected for molecular docking verification. AutoDock was used to perform molecular docking with the blood-entering components of honeysuckle to verify their binding capabilities. A total of 95 targets of the blood components of honeysuckle and 960 targets related to smoke inhalation-induced lung injury were identified through network pharmacological analysis. Fifteen common targets of the blood components of honeysuckle were identified: CTSD, KLF5, TTR, HIF1A, CAPN1, GRIN1, ADAM10, ERAP1, NFE2L2, LGALS3, TLR4, GRB2, NF-κB1, RPS6KA1, and PTPN11. Network PPI analysis indicated that NF-κB1 was among the core targets. GO and KEGG enrichment analyses revealed that the components of Lonicerae lonicerae in the blood exerted therapeutic effects by regulating biological processes such as inflammation, apoptosis, oxidative stress, and the NF-κB signaling pathway. Molecular docking results showed that the blood components of honeysuckle exhibited strong binding affinities to IL-1β, NF-κB, and other core targets. This study revealed the potential mechanism of action of honeysuckle blood-entering components against smoke inhalation-induced lung injury through the NF-κB signaling pathway, NF-κB1, and other core targets, using network pharmacology and molecular docking techniques, thereby providing a theoretical foundation for further research on the application of honeysuckle in treating smoke inhalation-induced lung injury.
金银花的活性成分通过减轻炎症和氧化应激来缓解烟雾吸入所致的肺损伤。本研究旨在运用网络药理学和分子对接技术，探讨金银花入血成分对烟雾吸入所致肺损伤的干预机制。通过瑞士靶点预测和相似性整合方法数据库鉴定金银花入血成分的靶点。从GeneCards和CTD数据库中检索与烟雾吸入所致肺损伤相关的靶基因。采用Cytoscape 3.7.1软件构建金银花的入血成分-靶点网络。使用DAVID工具对金银花中与吸入性肺损伤相关的靶基因进行GO生物学过程富集分析。使用KEGG 3.0工具对金银花中抗吸入性肺损伤靶基因进行KEGG通路富集分析。选择网络中蛋白质-蛋白质相互作用（PPI）最高的前六个核心靶点进行分子对接验证。使用AutoDock对金银花的入血成分进行分子对接，以验证它们的结合能力。通过网络药理学分析共鉴定出金银花入血成分的95个靶点和与烟雾吸入所致肺损伤相关的960个靶点。确定了金银花入血成分的15个共同靶点：组织蛋白酶D（CTSD）、 Kruppel样因子5（KLF5）、转甲状腺素蛋白（TTR）、缺氧诱导因子1α（HIF1A）、钙蛋白酶1（CAPN1）、谷氨酸受体离子型N-甲基-D-天冬氨酸1（GRIN1）、解聚素和金属蛋白酶10（ADAM10）、内质网氨肽酶1（ERAP1）、核因子E2相关因子2（NFE2L2）、半乳糖凝集素3（LGALS3）、Toll样受体4（TLR4）、生长因子受体结合蛋白2（GRB2）、核因子κB亚基1（NF-κB1）、丝氨酸/苏氨酸蛋白激酶6激酶1（RPS6KA1）和蛋白酪氨酸磷酸酶非受体型11（PTPN11）。网络PPI分析表明NF-κB1位于核心靶点之中。GO和KEGG富集分析显示，金银花入血成分通过调节炎症、凋亡、氧化应激和NF-κB信号通路等生物学过程发挥治疗作用。分子对接结果表明，金银花入血成分与白细胞介素-1β（IL-1β）、NF-κB等核心靶点具有较强的结合亲和力。本研究运用网络药理学和分子对接技术，揭示了金银花入血成分通过NF-κB信号通路、NF-κB1等核心靶点对烟雾吸入所致肺损伤的潜在作用机制，从而为进一步研究金银花在治疗烟雾吸入所致肺损伤中的应用提供了理论基础。
