DataSheet1_Network Pharmacology and Experimental Assessment to Explore the Pharmacological Mechanism of Qimai Feiluoping Decoction Against Pulmonary Fibrosis.docx

Pulmonary fibrosis (PF) is one of the pathologic changes in COVID-19 patients in convalescence, and it is also a potential long-term sequela in severe COVID-19 patients. Qimai Feiluoping decoction (QM) is a traditional Chinese medicine formula recommended in the Chinese national medical program for COVID-19 convalescent patients, and PF is one of its indications. Through clinical observation, QM was found to improve the clinical symptoms and pulmonary function and reduce the degree of PF of COVID-19 convalescent patients. To further explore the pharmacological mechanisms and possible active components of QM in anti-PF effect, UHPLC/Q-TOF-MS was used to analyze the composition of the QM extract and the active components that can be absorbed into the blood, leading to the identification of 56 chemical compounds and 10 active components. Then, network pharmacology was used to predict the potential mechanisms and targets of QM; it predicted that QM exerts its anti-PF effects via the regulation of the epithelial–mesenchymal transition (EMT), extracellular matrix (ECM) degradation, and TGF-β signaling pathway. Finally, TGF-β1–induced A549 cells were used to verify and explore the pharmacological effects of QM and found that QM could inhibit the proliferation of TGF-β1–induced A549 cells, attenuate EMT, and promote ECM degradation by inhibiting the TGF-β/Smad3 pathway.

肺纤维化（Pulmonary fibrosis, PF）是新型冠状病毒肺炎（COVID-19）康复期患者的病理改变之一，亦是重型COVID-19患者潜在的长期后遗症。芪麦肺络平煎剂（Qimai Feiluoping decoction, QM）是《新型冠状病毒肺炎诊疗方案》推荐用于COVID-19康复期患者的中药方剂，肺纤维化亦是其适应症之一。经临床观察发现，QM可改善COVID-19康复期患者的临床症状与肺功能，减轻其肺纤维化程度。为进一步探究QM抗肺纤维化的药理学机制与潜在活性成分，本研究采用超高效液相色谱/四极杆飞行时间质谱（UHPLC/Q-TOF-MS）对QM提取物的组成及可吸收入血的活性成分进行分析，共鉴定出56种化学成分与10种活性成分。随后通过网络药理学预测QM的潜在作用机制与靶点，结果显示QM可通过调控上皮间质转化（Epithelial–mesenchymal transition, EMT）、细胞外基质（Extracellular matrix, ECM）降解及转化生长因子-β（TGF-β）信号通路发挥抗肺纤维化作用。最后利用转化生长因子-β1（TGF-β1）诱导的A549细胞对QM的药理学效应进行验证与探究，结果表明QM可抑制TGF-β1诱导的A549细胞增殖、减轻上皮间质转化，并通过抑制TGF-β/Smad3信号通路促进细胞外基质降解。