Figure 10

The (HOMO), (LUMO) total occupation, total electron density and molecular electrostatic potential (MEP) mapping distribution for the investigated di-imine-SB inhibitor in (A) gas, (B) solvent, (C) protonated form. Structures were extracted from Dassault Systems Materials Studio Tutorials, BIOVIA, 5005 Wateridge Vista Drive, San Diego, CA 92121, USA, 2017.