Abstract

Qishan Formula (QSF) is mainly used to treat lung cancer and its side effects of radiotherapy and chemotherapy. Although the clinical efficacy of QSF has been recognized, its mechanism of action and active ingredients are still unclear. This study aims to explore the potential Q-Marker of QSF and reveal its anti-lung cancer mechanism. Firstly, the fingerprints of 10 batches of QSF were established, and the potential Q-markers were screened by chemometrics, then network pharmacology and molecular docking methods were used to explore its anti-lung cancer mechanism. Finally, the potential Q-markers were quantitatively by UPLC-QDA. The results showed that 48 common peaks were identified by the established fingerprint, and calycosin, ginsenoside Rg1, atractylenolide III, atractylenolide I and ginsenoside Rb1 were screened as potential Q-Markers of QSF by chemometrics. Network pharmacology and molecular docking found that the potential Q-Markers may regulate various signaling pathways through targets such as FOS, IL6, EGFR, ESR1, MAPK1, and MAPK3, and play a therapeutic role in lung cancer. Besides, the established UPLC-QDA can also perform quality control for Q-Markers of QSF. This study can provide academic ideas and lay a foundation for the comprehensive quality control and mechanism research of QSF and other compound preparation.

摘要

芪善方（QSF）主要用于治疗肺癌及其放化疗的副作用。尽管QSF的临床疗效已得到认可，但其作用机制和活性成分仍不清楚。本研究旨在探讨QSF潜在的Q-Marker并揭示其抗肺癌机制。首先建立10批QSF的指纹图谱，并通过化学计量学筛选潜在的Q标记物，然后利用网络药理学和分子对接方法探讨其抗肺癌机制。最后，通过 UPLC-QDA 对潜在的 Q 标记进行定量。结果表明，建立的指纹图谱共鉴定出48个共有峰，其中毛蕊异黄酮、人参皂苷Rg1、白术内酯III、通过化学计量学筛选出白术内酯 I 和人参皂苷 Rb1 作为 QSF 的潜在 Q 标记物。网络药理学和分子对接发现，潜在的Q-Markers可能通过FOS、IL6、EGFR、ESR1、MAPK1和MAPK3等靶点调节多种信号通路，在肺癌中发挥治疗作用。此外，建立的UPLC-QDA还可以对QSF的Q-Markers进行质量控制。该研究可为QSF及其他复方制剂的综合质量控制及作用机制研究提供学术思路并奠定基础。建立的UPLC-QDA还可以对QSF的Q-Markers进行质量控制。该研究可为QSF及其他复方制剂的综合质量控制及作用机制研究提供学术思路并奠定基础。建立的UPLC-QDA还可以对QSF的Q-Markers进行质量控制。该研究可为QSF及其他复方制剂的综合质量控制及作用机制研究提供学术思路并奠定基础。