Research Paper Volume 14, Issue 4 pp 1848—1864

Computational research of Belnacasan and new Caspase-1 inhibitor on cerebral ischemia reperfusion injury

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Figure 4. (A) ZINC000004099068- Caspase-1 complex. Schematic drawing of interactions between ligands and Caspase-1 by DS 4.5 and Schrodinger. The surface of the binding area was added; blue represented positive charge; red represented negative charge; ligands were shown in sticks; the structure around the ligand-receptor junction was shown in thinner sticks. In addition, the surface of the complex was added, green for ligands and gray for Caspase-1. (B) ZINC000100634116- Caspase-1 complex. Schematic drawing of interactions between ligands and Caspase-1 by DS 4.5 and Schrodinger. The surface of the binding area was added; blue represented positive charge; red represented negative charge; ligands were shown in sticks; the structure around the ligand-receptor junction was shown in thinner sticks. In addition, the surface of the complex was added, green for ligands and gray for Caspase-1. (C) Belnacasan - Caspase-1 complex. Schematic drawing of interactions between ligands and Caspase-1 by DS 4.5 and Schrodinger. The surface of the binding area was added; blue represented positive charge; red represented negative charge; ligands were shown in sticks; the structure around the ligand-receptor junction was shown in thinner sticks. In addition, the surface of the complex was added, green for ligands and gray for Caspase-1.