Network Pharmacology and Molecular Docking Analysis of Shanhaidan granules in treatment of coronary heart disease angina pectoris

Abstract Objective To study the pharmacological mechanism of Shanhaidan granules for treatment of coronary heart disease angina pectoris(CHD-AP). Methods The active ingredients and their target genes of Shanhaidan granules were collected from TCMSP and TCMID. CHD-AP-related target genes were collected from GeneCards, OMIM and DurgBank database. The target PPI network was constructed by STRING. PPI network was used for topological analysis and core target screening. The hub target proteins and top core ingredients of Shanhaidan Granule on CHD-AP was analysed for the binding validation experiment by Molecular Docking. Results 198 active components and 320 potential targets were obtained from Shanhaidan granule, 1208 related targets and 158 joints of CHD-AP were screened. PPI network analysis showed that AKT1, IL-6, VEGF, TNF, MAPK, Caspase-3, MMP, and EGFR were the core and key teagets in treatment of CHD-AP with Shanhaidan granule. KEGG-GO analysis indicated that Shanhaidan granules treated CHD-AP by regulating the TNF signaling pathway, IL-17 signaling pathway, PI3K-Akt signaling pathway, MAPK signaling pathway and apoptosis-related signalling pathway. The results of the molecular docking showed that the core compounds and target proteins had strong binding activity. Conclusion The results predicted and verified mechanism of Shanhaidan granule gainst CHD-AP from a holistic perspective, which provided theoretical support for rational clinical application of CHD-AP.