Research Paper Volume 14, Issue 4 pp 1848—1864
Computational research of Belnacasan and new Caspase-1 inhibitor on cerebral ischemia reperfusion injury
Figure 8. Pharmacophore predictions using the 3D-QSAR module of DS 4.5 and developing pharmacophore models module of Schrodinger. (A) ZINC000004099068: Green represents hydrogen acceptor; blue represents the hydrophobic center; purple represents hydrogen donor; dark blue represents Inozable negative by DS 4.5. Red represents hydrogen acceptor; green represents hydrophobic center by Schrodinger. (B) ZINC000100634116: Green represents hydrogen acceptor; blue represents the hydrophobic center; purple represents hydrogen donor by DS 4.5. Red represents hydrogen acceptor, and green represents hydrophobic center by Schrodinger. (C) Belnacasan: Green represents hydrogen acceptor; blue represents the hydrophobic center; purple represents hydrogen donor; yellow represents Aromatic Ring by DS 4.5. Red represents hydrogen acceptor; green represents the hydrophobic center; yellow represents Aromatic Ring by Schrodinger.