An interesting article illustrating the use of Discovery Studio for drug discovery of novel Plasmodium falciparum falcipain-2 (FP-2) inhibitors.
The following figure is an excerpt from the paper illustrating the use of 2D diagrams to elucidate binding site interactions.Binding modes and docking interactions diagrams of compounds CC3 (A), CC5 (B), CC7 (C), CC8 (D), and the co-crystal inhibitor E64 (E) (left: 2D interaction, right: 3D interaction) against P. falciparum FP2 (3BPF); dotted green lines indicate conventional H-bonding interactions, and dotted yellow and purple lines indicate different types of hydrophobic interactions
