Construction of a Novel Doxorubicin Nanomedicine Using Bindarit as a Carrier: A Multiscale Computer Simulation-Assisted Design-Based Study

Figure 2

Intermolecular forces between DOX and BIN. (a) Schematic diagram between DOX and BIN; intermolecular forces between DOX and BIN were π-π stacking and H-bond. (b) 2D conformation of BIN docked into DOX. (c) 3D conformation of complex of DOX/BIN. (d) The hydrophilic and lipophilic surface of complex of DOX/BIN.

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