Figure 4
From: Role of berberine in anti-bacterial as a high-affinity LPS antagonist binding to TLR4/MD-2 receptor
Role of berberine in the combination between LPS and its receptor molecules. A. The docking analysis of berberine and MD-2. The binding free energies of the three berberine molecules was -7.70Â kcal/mol, -7.33 and -6.75Â kcal/mol respectively. B. A MD simulation of a system with four molecules of berberine randomly distributed around the MD-2 solvated by water.