Fig. 6

A The Ramachandran diagram of MMP9 protein. B Chemical structure of novel compound ZINC000072131515 selected from virtual screening. C Schematic drawing of inter-molecular interactions of the computed binding modes of ZINC000072131515 with MMP9 based on highly precise docking method. D Visualization of chemical interactions between the ligand and MMP9 after highly precise docking (ZINC000072131515-MMP9 complex). The surface of binding area as well as the active binding region were added. Blue represented positive charge, red represented negative charge and active binding region was shown with red sphere. Inhibitors was displayed with sticks, with the structures around ligand-receptor junction shown in thinner sticks