Discussion on active ingredients and targets of Shenfu Decoction in treating myocardial infarction based on network pharmacology and molecular docking technology
LIU Tiantian1，2 YAO Kuiwu1
1.Department of Cardiology, Guang’anmen Hospital, China Academy of Chinese Medical Sciences, Beijing 100053, China;
2.Department of Pharmacy, Dongfang Hospital, Beijing University of Chinese Medicine, Beijing 100078, China
Abstract Objective To explore the potential components and mechanism of Shenfu Decoction in the treatment of myocardial infarction based on network pharmacology and molecular docking. Methods Traditional Chinese medicine systems pharmacology database and analysis platform was used to search the active components and targets of Shenfu Decoction. GeneCards database was used to search the corresponding targets of myocardial infarction. The intersection of active components of Shenfu Decoction and myocardial infarction target were selected to obtain the potential target of Shenfu Decoction in treating myocardial infarction. Protein gene interaction data were obtained by String database, and protein-protein interaction network was constructed by importing into Cytoscape software. Gene ontology function and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of the same target proteins of drugs and diseases were carried out by David database. Molecular docking was performed by using DockThor and Pymol software. Results Shenfu Decoction was mainly used to treat myocardial infarction through 22 active components and 22 signaling pathways acting on 78 targets (26 core targets). Target pathway enrichment results showed that Shenfu Decoction mainly acted on PI3K-Akt, MAPK, apoptosis, NF-κB, and VEGF signaling pathways, etc. The results of molecular docking showed that kaempferol, β-sitosterol, stigmasterol and frutinone A had good binding ability with AKT1, TNF, MAPK8, STAT3, JUN, IL-1β and RELA. Conclusion Shenfu Decoction may play an anti-myocardial infarction by inhibiting apoptosis, promoting angiogenesis and reducing inflammation.
LIU Tiantian1,2 YAO Kuiwu1. Discussion on active ingredients and targets of Shenfu Decoction in treating myocardial infarction based on network pharmacology and molecular docking technology[J]. 中国医药导报, 2021, 18(16): 19-24.
