Bioactivity and Molecular Docking Studies of Derivatives from Cinnamic and Benzoic Acids

Figure 2

Predicted binding modes of compound 7 to ST-PK (a), TS (b), and QR (c) of Candida albicans (left). Compound 7 is depicted cyan and the receptors in gray, with noncarbon atoms following the scheme: blue for N, red for O, yellow for S, white for H, and orange for P. On the right side of the figure are represented the predicted interaction frequencies with the residues at the receptors binding sites. Darker lines indicate the higher frequencies of interaction. Only residues interacting with the ligand in more than 50% of the analyzed MD snapshots are labelled in the complexes’ structures.

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