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使用气相色谱-质谱联用仪(GC-MS)和网络药理学研究JBOL挥发性成分在特发性肺纤维化(IPF)中的疗效。

Studying the efficacy of JBOL volatile components in idiopathic pulmonary fibrosis (IPF) using GC-MS and network pharmacology.

作者信息

Zhang Aijun, Kong Linghui, Li Tong, Shi Lei, Jiang Juanjuan, Li Ping, Li Honglin, Han Xinru, Li Jian, Feng Shuai, Li Feng, Meng Zhaoqing

机构信息

College of pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, 250355, China.

Shandong Hongji-tang Pharmaceutical Group Co., Ltd., Jinan, 250301, China.

出版信息

Sci Rep. 2025 Apr 16;15(1):13188. doi: 10.1038/s41598-025-97374-9.

Abstract

Jin Bei oral liquid (JBOL) is a Chinese medicinal preparation for the treatment of idiopathic pulmonary fibrosis (IPF), Clinical trials have shown that IPF patients using JBOL have improved their lung function indicators FVC% and DLCO% by approximately 2.10% and 7.74%, suggesting that the agent has a positive effect in slowing disease progression. In this study, the active volatile components of JBOL were systematically identified and analyzed using gas chromatography-mass spectrometry (GC-MS), network pharmacology and molecular docking techniques. It was found that JBOL contains a variety of compounds with antifibrotic potential, which act through multi-target and multi-pathway mechanisms. Network pharmacological analyses revealed multiple targets of JBOL associated with key pathological processes in IPF, and key active ingredients were screened based on degree values (including Sedanolide, Ligustilide, Senkyunolide H, Senkyunolide I, α-Terpineol, and 4-Terpineol). Molecular docking results showed that these compounds have high affinity for target proteins. Finally, suitable quantitative methods were established and methodologically validated for these six compounds, and these methods were used to determine the content of 8 batches of JBOL and analyze the differences in content between batches.The present study provides a scientific basis for the quality control and standardization of its JBOL by identifying and analyzing its active volatile components.

摘要

金贝口服液(JBOL)是一种用于治疗特发性肺纤维化(IPF)的中药制剂。临床试验表明,使用JBOL的IPF患者的肺功能指标FVC%和DLCO%分别提高了约2.10%和7.74%,表明该药物在减缓疾病进展方面具有积极作用。在本研究中,采用气相色谱-质谱联用(GC-MS)、网络药理学和分子对接技术对JBOL的活性挥发性成分进行了系统鉴定和分析。结果发现,JBOL含有多种具有抗纤维化潜力的化合物,它们通过多靶点、多途径机制发挥作用。网络药理学分析揭示了JBOL与IPF关键病理过程相关的多个靶点,并基于度值筛选出关键活性成分(包括蛇床子素、藁本内酯、川芎内酯H、川芎内酯I、α-松油醇和4-松油醇)。分子对接结果表明,这些化合物对靶蛋白具有高亲和力。最后,建立了这六种化合物的合适定量方法并进行了方法学验证,并将这些方法用于测定8批次JBOL中这些化合物的含量,并分析批次间含量差异。本研究通过对JBOL活性挥发性成分的鉴定和分析,为其质量控制和标准化提供了科学依据。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/096a/12003768/35e56a98142d/41598_2025_97374_Fig1_HTML.jpg

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