Fig. 5 | Nature Communications

Fig. 5

From: A network integration approach for drug-target interaction prediction and computational drug repositioning from heterogeneous information

Fig. 5

The docked poses for the predicted interactions between three drugs (i.e., chlorpropamide, alendronate and telmisartan) and the COX proteins (i.e., COX-1 and COX-2). a Chlorpropamide vs. COX-1; b Chlorpropamide vs. COX-2; c Alendronate vs. COX-1; d Alendronate vs. COX-2; e Telmisartan vs. COX-1; f Telmisartan vs. COX-2. The protein structures of COX-1 and COX-2 were downloaded from the Protein Data Bank (PDB IDs 3kk6 and 3qmo for COX-1 and COX-2, respectively). The structures of the small molecules were obtained from the ZINC61. The docking program Autodock3 was used for the docking modeling. Hydrogen bonds were computed by PyMOL70 and represented by the red and yellow dashed lines in COX-1 and COX-2, respectively

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