Research Paper Volume 16, Issue 4 pp 3773—3789

Figure 1. Network pharmacology analysis. (A) Intersection Venn diagram of YYHXD-HF. (B) The “herb - ingredient - target - disease” network. The purple nodes represented herb. The red nodes represented YYHXD-regulated targets, the node with larger size, represented higher degree score in the network. The green nodes represented active ingredients, the node with darker color, represented higher degree score in the network. (C) PPI network construction. (D) Gene cluster and core target analysis of PPI network. (a) PPI network. (b) Identification of hub genes in the PPI network. Nodes were ranked by MCC score, with darker red represents higher the MCC score. (c–f) 4 cluster genes identified in the PPI network. The clusters were ranked by MCODE score. Cluster 1 was the most critical module in the PPI network, with an MCODE score of 29.939, containing 34 nodes. The red nodes in cluster 1 represented hub genes of PPI network. Cluster 2 contained 22 nodes, with an MCODE score of 7.524. Cluster 3 contained 17 nodes, with an MCODE score of 3.875. Cluster 4 with an MCODE score of 3.5, contained 9 nodes. (E) GO annotation analysis of Cluster 1 (top 10 most significantly enriched GO terms in BP, CC and MF). (F) KEGG pathways enrichment analysis of Cluster 1. (a) The enrichment analysis of Cluster 1 (top 10 most significantly enriched KEGG pathways). (b) KEGG pathways. (G) Molecular docking results and visual analysis. (a) Docking visualization of AKT1 and senkyunone. (b) Docking visualization of MYC and mandenol. (c) Docking visualization of TP53 and quercetin1. (d) Docking visualization of HSP90AA1 and senkyunon. (e) The heat map of LibDock Scores between the 5 crucial active molecules and 4 hub targets.