Keywords
Heart failure
Network pharmacology
Molecular docking
Mechanism of action
Submitted : 2024-06-24
Accepted : 2024-07-09
Published : 2024-07-24
Abstract
Objective: To investigate the pharmacodynamic substances and mechanism of action of Qili Qiangxin Capsule in the treatment of heart failure based on network pharmacology and molecular docking technology. Methods: The active ingredients and drug targets of Qili Qiangxin Capsule were obtained from databases such as TCMSP, GeneCards, OMIM, PharmGkb, TTD, and DrugBank databases were searched for heart failure disease targets. The drug targets and disease targets were corrected by the UniProt database, then the Venn diagram was drawn, and the intersecting genes were screened. Cytoscape 3.8.0 software was used to draw the active ingredient-disease target network for topological analysis. PPI network was constructed in the STRING database platform to predict the core targets. Bioconductor package was used to perform KEGG pathway analysis. autoDock Vina software was used to molecularly dock the core targets with the main active ingredients, and Pymol software visualised the results. Results: Screening of 209 active ingredients of Qili Qiangxin Capsule, including quercetin, luteolin, cryptotanshinone, etc. 11,432 heart failure disease targets, 249 genes intersecting with drugs, including the core targets containing TP53, STAT3, JUN, MAPK1, etc. These genes are mainly involved in the AGE-RAGE, fluid shear stress, and atherosclerosis, PI3K-Akt signaling pathways. Conclusion: This study initially revealed the multi-component, multi-target, multi-pathway mechanism of action of Qili Qiangxin Capsule in the treatment of heart failure, which provides a theoretical basis for further research.
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