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. 2016 Dec 21;17(12):2151. doi: 10.3390/ijms17122151

Table 6.

Docking results of pro-drug compounds using AutoDockVina.

Prodrugs Docking Energy (kcal/mol) Binding Pocket Residues
5a −8.90 Gln189, His193, Lys197, Leu377, Phe390, Val281, Leu280, val273, Glu276, Gln275, His
5b −9.90 Gln189, His193, Thr192, Ala188, Phe186, Tyr371, Trp373, His374, Leu276, Leu377, Ala429, Val430,Val433, Phe390, Leu394, Val281, Leu280
5c −9.40 His193, Thr192, Ala188, Phe185, Val277, Lys197, Thr198, His372, Tyr371, His374, Leu377, Ala185
Dexibuprofen −8.60 Gln189, Phe390, Val281, Leu263, Leu394 and Leu377