Study on the effect of Danbei Yifei formula on pulmonary fibrosis based on network pharmacology and molecular docking technology

• 作者: Xiao-Jun Cai Bai-Hua Jiang Zhen-Hua Lu Tao Wang Bi-Hai Zhang Xu-Ling Wang
• 来源期刊: 海南医科大学学报（英文版）
• 年，卷（期）: 2022,（5）
• 所属期刊栏目: Original article
• 页码范围: 41-46
• 页数: 6页
• 语种: 英文

摘要

Objective: To determine the pharmacodynamic material basis and mechanism of Danbei Yifei formula on pulmonary fibrosis. Methods: Starting with the clear absorbed components of Danbei Yifei formula or the potential effective components in line with the five rules of Ribinsky, the network pharmacology method and technology of traditional Chinese medicine were used to predict and analyze the action targets of Danbei Yifei formula in vivo, such as Salvia miltiorrhiza, PINBEI, Taoren, etc. On the basis of enrichment analysis, the core pathway of Danbei Yifei formula in the treatment of pulmonary fibrosis was identified, and the binding energy of drug ligand and protein target was determined through molecular docking technology simulation and verification, and its affinity and stability were evaluated. To clarify the material basis and mechanism of Danbei Yifei formula in the treatment of pulmonary fibrosis. Result: The results of network pharmacology prediction of traditional Chinese medicine showed that Danbei Yifei formula contained 72 potential pharmacodynamic components and 26 corresponding targets, including CHRM1、MAPK14、CCL2、ADRB1、PTGS1、PPARG、ALOX5、Pde3a、CHRM2、Adrb2、TNF、JUN、Adora2a、LTA4H、CYP1A2、OPRD1、CHRM3、DRD2、OPRM1、ARG1、EDNRA、Il6st、TACR1、MMP1、MMP8、Ptgs2, which were related to pulmonary fibrosis and pulmonary fibrosis Lung related diseases are highly correlated. There were 26 Go items (P < 0.05) in go functional enrichment analysis, including 22 biological process (BP), 9 cellular component (CC) and 3 molecular function (MF) categories. The results of network pharmacology showed that many components, such as protocatechuic acid and aminosuccinic acid, had direct effects on known targets of pulmonary fibrosis. Conclusion: Danbei Yifei formula contains many effective components which have inhibitory effect on pulmonary fibrosis, and it may play its role through the mechanism of multi-component and multi-target synergistic effect.