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王俊帅, 王雪仪, 王雪颖, 刘臻茵, 赵振霞, 刘永利, 李挥.UPLC-Q-Exactive Orbitrap-MS联合网络药理学分析清肺汤抗肺炎活性作用机制[J].湖南中医药大学学报,2024,44(12):2267-2276[点击复制] |
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UPLC-Q-Exactive Orbitrap-MS联合网络药理学分析清肺汤抗肺炎活性作用机制 |
王俊帅,王雪仪,王雪颖,刘臻茵,赵振霞,刘永利,李挥 |
(河南大学药学院, 河南 开封 475000;河北省药品医疗器械检验研究院, 河北 石家庄 050227) |
摘要: |
目的 采用UPLC-Q-Excative Orbitrap-MS和网络药理学探讨清肺汤抗肺炎的作用机制。方法 通过UPLC-Q-Excative Orbitrap-MS法进行分析,鉴定清肺汤的主要化学成分,结合Swisstarget收集清肺汤主要化学成分的作用靶点;利用OMIM、DrugBank及GeneCards等数据库获取“肺炎”的相关靶点,并与清肺汤化学成分靶点取交集筛选出共同靶点,通过蛋白质相互作用网络构建及GO、WikiPathways通路富集分析确定清肺汤治疗肺炎的重要信号通路。结果 通过UPLC-Q-Excative Orbitrap-MS从清肺汤中鉴别出142种活性成分,获得200个清肺汤成分与肺炎交集靶点,构建网络后获取了44个潜在有效成分和131个肺炎关键靶点。KEGG通路富集分析表明,清肺汤通过MAPK3信号通路、EGFR信号通路、LCK信号通路等多种信号通路以及白细胞介素-5(interleukin-5,IL-5)、白细胞介素-2(interleukin-2,IL-2)和胸腺基质淋巴细胞生成素(thymic stromal lymphopoietin,TSLP)等多靶点发挥抗肺炎的作用。结论 清肺汤中的活性成分可通过多通路、多靶点发挥调节免疫、抗炎、调节细胞凋亡、抗病毒感染和改善肺纤维化的作用,从而起到治疗肺炎的作用。 |
关键词: UPLC-Q-Excative Orbitrap-MS 清肺汤 肺炎 网络药理学 作用机制 |
DOI:10.3969/j.issn.1674-070X.2024.12.019 |
投稿时间:2024-03-28 |
基金项目:河北省自然科学基金项目(H2022329003)。 |
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Analysis of the mechanism of action of Qingfei Decoction's anti-pneumonia activity by UPLC-Q-Exactive Orbitrap-MS combined with network pharmacology |
WANG Junshuai, WANG Xueyi, WANG Xueying, LIU Zhenyin, ZHAO Zhenxia, LIU Yongli, LI Hui |
(School of Pharmacy, Henan University, Kaifeng, Henan 475000, China;Hebei Institute for Drug and Medical Device Inspection, Shijiazhuang, Hebei 050227, China) |
Abstract: |
Objective To explore the mechanism of action of Qingfei Decoction's anti-pneumonia activity using UPLC-Q-Excative Orbitrap-MS and network pharmacology. Methods The major chemical components of Qingfei Decoction were analyzed and identified by UPLC-Q-Excative Orbitrap-MS. Targets of the identified components were collected using Swisstarget; pneumonia-related targets were retrieved from OMIM, DrugBank, and GeneCards databases. Common targets between the identified components of Qingfei Decoction and pneumonia were screened by taking their intersection. Protein-protein interaction (PPI) network construction and GO/WikiPathways enrichment analyses were performed to identify key signaling pathways involved in Qingfei Decoction's treatment of pneumonia. Results A total of 142 active ingredients were identified from Qingfei Decoction by UPLC-Q-Excative Orbitrap-MS, yielding 200 intersecting targets between the ingredients and pneumonia. Network construction identified 44 potential effective components and 131 key pneumonia-related targets. KEGG pathway enrichment analysis indicated that Qingfei Decoction exerted its anti-pneumonia effects through multiple signaling pathways, including the MAPK3 signaling pathway, EGFR signaling pathway, and LCK signaling pathway, as well as multiple targets such as interleukin-5 (IL-5), interleukin-2 (IL-2), and thymic stromal lymphopoietin (TSLP). Conclusion The active ingredients in Qingfei Decoction can exert therapeutic effects against pneumonia via multi-pathway and multi-target mechanisms, including immune regulation, anti-inflammatory action, modulation of apoptosis, antiviral effects, and mitigation of pulmonary fibrosis. |
Key words: UPLC-Q-Excative Orbitrap-MS Qingfei Decoction pneumonia network pharmacology mechanism of action |
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