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

Figure 3

Predicted binding modes of compounds 7, 2, and 22 to QR, TS, and ST-PK of Candida albicans. Compounds are depicted cyan and the receptors in gray, with noncarbon atoms following the scheme: blue for N, red for O, yellow for S, and orange for P. Only residues interacting with the ligand in more than 50% of the analyzed MD snapshots are labelled in the complexes’ structures. The complexes with each receptor were superimposed before generating the images.