3,5-Dinitrobenzoate and 3,5-Dinitrobenzamide Derivatives: Mechanistic, Antifungal, and In Silico Studies

Figure 3

Predicted binding modes of compound 2 to the ERG20 (top left), ERG1 (top right), ERG12 (bottom left), and ERG7 (bottom right) targets. Non-carbon atoms are colored following the scheme: red for oxygen, blue for nitrogen, and yellow for sulfur. Only residues interacting with the compound in more than 50% of the analyzed MD snapshots are labelled in the figure.