Elucidation of Potential Targets of San-Miao-San in the Treatment of Osteoarthritis Based on Network Pharmacology and Molecular Docking Analysis

Figure 4

Comprehensive analysis of SMS active compounds-key targets network with molecular docking. (a) The protein-protein interaction network and topological analysis of 29 intersection targets. There are 10 yellow rectangles obtained from topology analysis that represent the key targets, compared with previous found 9 key targets for Venn analysis. (b) The interactive network of SMS active compounds and 29 intersection targets. The interaction of 10 and 9 key targets present in each subnetwork. (c) The KEGG pathway enrichment and GO function enrichment analysis of 4 intersection targets in PPI network. These intersection targets are derived from Venn analysis of subnetworks. The reddish color indicates smaller value and vice versa. (d) The molecular structure presents the active compound wogonin, which is derived from Venn analysis of above 4 key targets’ corresponding compounds. The targets and pathways of wogonin are present in central network diagram, which is output from a TCM database (Integrative Pharmacology-Based Research Platform of Traditional Chinese Medicine, TCMIP v2.0). Then, the three-dimensional conformations of wogonin and corresponding targets including the affinity energy present in the molecular docking diagram. The yellow rectangles present the spatial docking of wogonin in each target.