Fig. 4.
In silico CD36-NO2-OA docking studies reveal the interaction of NO2-OA in the region of Lys164. A. Superimposed conformations obtained from docking simulation for searches performed at 4 (red), 6 (blue) and 8 Å (yellow) around Lys164. B and C. Representation of the two most stable complexes obtained for NO2-OA around Lys164. Ligand atoms are represented with balls and sticks and Lys164 and 166 of the receptor with bold sticks. The non-polar hydrogens of the ligand were included in the figures for a better representation. D. Three-dimensional (3D) representation of the CD36-NO2-OA complexes nearby Lys164 showed interactions with relevant residues of CD36. Left panel: CD36-NO2-OA complex represented in Fig. 5B and Right panel: CD36-NO2-OA complex represented in Fig. 5C. The carbons of the ligand are represented in orange while the carbons of the amino acids from the receptor are in cyan. Blue is used for nitrogen atoms, red for oxygen and white for hydrogen. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)