Kushenol I combats ulcerative colitis via intestinal barrier preservation and gut microbiota optimization

Figure 3 Molecular dynamics simulation results of kushenol I interacting with protein kinase B, forkhead box O1, nuclear factor kappa B, NOD-like receptor thermal protein domain associated protein 3, phosphoinositide 3-kinase, p38 mitogen-activated protein kinase, and Toll-like receptor 4. A: Fluctuation curves of hydrogen bond numbers; B: Radius of gyration curves; C: Root mean square deviation curves; D: Root mean square fluctuation curves; E: Free energy landscape. AKT: Protein kinase B; FOXO1: Forkhead box O1; NF-κB: Nuclear factor kappa B; NLRP3: NOD-like receptor thermal protein domain associated protein 3; p38 MAPK: p38 mitogen-activated protein kinase; PI3K: Phosphoinositide 3-kinase; Rg: Gyration radius; RMSD: Root mean square deviation; RMSF: Root mean square deviation; TLR4: Toll-like receptor 4.