Fig. 5
From: The Impact of Whole Genome Sequence Data on Drug Discovery—A Malaria Case Study
Inhibitor binding modes of falcipain-1 compared to falcipain-2. Models show the predicted binding modes of the best inhibitors for falcipain-1 (orange, left) and falcipain-2 (blue, right). The falcipain-1 model structure is shown with the predicted binding mode of its best symmetric acyl-hydrazide inhibitor from the work of Ring et al (6). The falcipain-2 model is shown with the predicted binding modes for the top eight active compounds. The figure was generated with MSMS (29) and the MSV software (31).