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. 2014 Jan 23;4:3840. doi: 10.1038/srep03840

Figure 4. Molecular model of docking of paclitaxel and AO-I to the molecular model of MD-2.

Figure 4

(A and B). 3D structures of AO-I and paclitaxel were drawn as a ball-and-stick representation: AO-I in purple, paclitaxel in blue-green. (C). 3D structure of human MD-2. Protein surface showing hydrophobic and hydrophilic properties. Green and red represent hydrophobicity and hydrophilicity, respectively, and the surface center of MD-2 with a potential binding-pocket (iron-gray); (D). AO-I binding to the hydrophobic pocket of MD-2, which partially overlaps with the binding site of paclitaxel.