Network Pharmacology Prediction and Molecular Docking-Based Strategy for Exploring the Potential Mechanism of the Guanxinjing Capsule in Treating Angina Pectoris

The chemical compositions and targets of the Guanxinjing capsule for the treatment of angina pectoris in coronary heart disease were obtained from TCMSP and GeneCards databases. The STRING database and Cytoscape 3.10.1 software were used to construct the PPI network analysis of the intersecting targets to screen out the core targets. The core targets were subjected to GO and KEGG enrichment analyses, and the core components and core targets were subsequently molecularly docked using AutoDock 4 software. AutoDock 4 software was used to perform molecular docking between the core components and core targets to predict the potential mechanism of action for the treatment of AP in CHD. A total of 127 chemical constituents of the Guanxinjing capsule were screened, corresponding to 366 potential targets that intersected with 1613 targets of AP, and 149 intersecting targets were screened. The analysis revealed that the core targets primarily affect the inflammatory response, apoptosis, and involve various signaling pathways, such as the IL-17, TNF, and PI3K-Akt signaling pathways. The analysis of GO function and KEGG pathway enrichment provides valuable insights into the targets' effects. The molecular docking results indicated high affinities between beta-sitosterol, quercetin, stigmasterol, baicalein, kaempferol, luteolin, tanshinone IIA, and salviolone and the core targets TNF, IL6, PPARG, and TP53. The results showed that the Guanxinjing capsule can exert its therapeutic effect on the angina pectoris of CHD through the relevant signaling pathway.