FIGURE 7.

Generic and schematic binding model of the thiosemicarbazones core structure based on the investigated derivatives. Selected PLpro amino acids participating in hydrophobic interaction and hydrogen bonds are displayed and additionally color-coded if they are only relevant for one of the compounds. Conserved and individual hydrogen bond positions are labeled. Moieties, which are exclusively present in one compound, are color-coded, e.g., the methoxylation in the position of R⁴ is exclusive for T1 and colored blue accordingly. The proposed options to extend the thiosemicarbazone compounds, either at the phenyl ring or at the terminal nitrogen of the thiourea moiety, are indicated schematically by arrows.