Berberine alleviates experimental colitis by enhancing gut-microbiota-dependent intestinal barrier function and suppressing gasdermin D activation

Figure 7 Effect of berberine on gasdermin D-related molecules. A: Molecular docking analysis of berberine binding to the gasdermin D (GSDMD) protein. The binding energy is -7.3 kcal/mol; B: Dynamic analysis predicted the presence of hydrogen bonds between berberine and key amino acid residues VAL383, LYS52, and ILE467 of GSDMD; C: Root-mean-square deviation changes in the protein skeleton and small-molecule ligand during the molecular dynamics simulation; D: Root-mean-square fluctuation changes of berberine and GSDMD during the molecular dynamics simulation; E: Analysis of the radius of gyration during molecular dynamics simulation; F: Representation of the free energy landscape within a three-dimensional coordinate system; G: Western blot showing the protein expression levels of GSDMD and apoptosis-associated speck-like protein containing a caspase-recruitment domain on the 9^th day after dextran sulfate sodium administration; H: Western blot showing the protein expression levels of GSDMD and apoptosis-associated speck-like protein containing a caspase-recruitment domain on the 9^th day after fecal microbiota transplantation treatment. CON: Control; DSS: Dextran sulfate sodium; Berb-L: Berberine low-dose group; Berb-H: Berberine high-dose group; GSDMD: Gasdermin D; ASC: Apoptosis-associated speck-like protein containing a caspase-recruitment domain; FMT: Fecal microbiota transplantation; PBS: Phosphate-buffered saline; Berb: Berberine.