Figure 8 | Scientific Reports

Figure 8

From: Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors

Figure 8

Best molecular docking poses of cinnamide derivatives 7g (A) and 7k (B) and reference 4e (C) within the active site of the LaARG model and the overlapped poses of 7g, 7k and 4e (D). The dashed black lines represent the H-bond interactions with amino acids (represented by spheres). Residues are represented by sticks (green color) interacting with pi-alkyl (dashed yellow lines), pi-pi T-shaped (dashed orange lines), or alkyl-alkyl (dashed blue lines).

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