Bioinformatic Identification of Peptidomimetic-Based Inhibitors against Plasmodium falciparum Antigen AMA1

Figure 1

Docked structures of peptides F1 (a), F2 (b), and F3 (c) on PfAMA1 central region. PfAMA1 central region is shown in cartoon representation in orange with hydrophobic groove residues shown as sticks in magenta. Polymorphic residues are shown in stick representation in green. Ligands (peptides F1, F2, and F3) are shown in line representation. Peptide aliphatic carbon, oxygen, nitrogen, and aromatic carbon are shown in cyan, red, blue, and white, respectively. The ionic bond between R-3 of F1 peptide (R-3-P) and D-227 of PfAMA1 with bond length of 3.1 Å is shown in (a) inset. D-227 of PfAMA1 is shown in stick representation with carbon, oxygen, and nitrogen shown in green, red, and blue, respectively. Structures were visualized by molecular visualization software PyMOL (DeLano Scientific).

(a)

(b)

(c)