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

Figure 6

Schematic presentation of the construct-furin complex and interaction network. (a) The cartoon representation of the peptide construct located in the furin active cleft. Molecular surfaces of the designed construct and furin are colored in green and light pink, respectively; the molecular surfaces are at 80 percent transparency. (b) The molecular interaction network extracted from the construct-furin complex. It depicts different interactions between construct residues and furin residues. Each node in the network is representative of a protein residue. The residue names are shown by three-letter codes. The size of nodes and their name fonts are proportional to the -score of centrality; the edges show different types of interactions introduced by color keys at the bottom right. The node colors are synchronized by the left structure image.