基于网络药理学研究玉屏风散治疗慢性阻塞性肺疾病的机制研究

Based on Network Pharmacology to Study the Mechanism of Jade Screen Wind Scatter in the Treatment of Chronic Obstructive Pulmonary Disease

采用网络药理学探寻玉屏风散治疗慢阻肺(COPD)的活性化合物,以期能够更好地应用于临床。通过中医百科全书(http://www.tcmip.cn/ETCM/)网站检索了玉屏风散中黄芪、白术、防风三味中药的全部有效成分及相关作用靶点,其次利用String数据库生成了玉屏风散治疗慢阻肺的蛋白与蛋白相互作用(PPI)网络,并使用Cytoscape 3.8.0软件对数据进行分析,提取出PPI网络中的Hub网络,通过String数据库的analysis功能进行GO分析和KEGG分析。在限定的筛选条件下(口服生物利用度 ≥ 30%、类药性 ≥ 0.18),找到了45个活性成分。通过筛选,获得了玉屏风散治疗慢阻肺的潜在靶点684个,以及COPD靶点1301个,在这两个靶点集合中找到了共有靶点147个。通过对这些靶点进行KEGG通路分析,得到了50条通路,并进一步筛选得到了治疗慢阻肺的25条主要通路。玉屏风散中的活性化合物的关键活性成分槲皮素、山柰酚、芒柄花素、汉黄芩素均为黄酮类化合物,通过作用于PIK3CA、MTOR、AKT1等靶点来调节多条信号通路,从而发挥治疗慢性阻塞性肺病(COPD)的作用。玉屏风散治疗慢阻肺的作用机制是多成分、多靶点和多通路相互作用的结果,这将为进一步探究其临床治疗提供理论基础。

To explore the active compounds of jade screen wind scatter in the treatment of chronic obstructive pulmonary disease (COPD) by network pharmacology, in order to better apply them in clinical prac-tice. All the active ingredients and related targets of Astragalus, Baishu and Windproof Sanwei Chi-nese medicine in Yuping Fengshan were searched through the website of the Encyclopedia of Tradi-tional Chinese Medicine (http://www.tcmip.cn/ETCM/), and then the protein-protein interaction (PPI) network for the treatment of COPD was generated by using the String database, and the data were analyzed using Cytoscape 3.8.0 software. The Hub network in the PPI network is extracted and the GO analysis and KEGG analysis are performed through the analysis function of the String data-base. Under the limited screening conditions (oral bioavailability ≥ 30%, drug-like ≥ 0.18), 45 ac-tive ingredients were identified. Through screening, 684 potential targets and 1301 COPD targets were obtained for the treatment of COPD by Yuping Fengshan, and a total of 147 targets were found in these two target sets. By analyzing the KEGG pathway of these targets, 50 pathways were ob-tained, and 25 major pathways for the treatment of COPD were further screened. The key active in-gredients of the active compounds in Yuping Feng Shan: quercetin, kaempferol, manganthocyanin, and baicalein, are all flavonoids, which regulate multiple signaling pathways by acting on targets such as PIK3CA, MTOR, and AKT1, thereby playing a role in the treatment of chronic obstructive pulmonary disease (COPD). The mechanism of action of jade screen wind scatter in the treatment of COPD is the result of multi-component, multi-target and multi-pathway interaction, which will pro-vide a theoretical basis for further exploration of its clinical treatment.