Theta-Defensins to Counter COVID-19 as Furin Inhibitors: In Silico Efficiency Prediction and Novel Compound Design

Figure 2

The electrostatic potential of the furin surface. The left panel is the furin structure in which the surfaces are colored by a color gradient from salmon-red to green; the active cleft is specified by a blue oval shape. The right panel is the structure of the designed construct colored by a color gradient as well. The low electrostatic potential of the furin active cleft and the high electrostatic potential of the peptide construct are evident in the figure.