Optimized Hydrophobic Interactions and Hydrogen Bonding at the Target-Ligand Interface Leads the Pathways of Drug-Designing
Figure 3
Ligand-associated amino acids of c-Src and c-Abl Kinase.
(A) A stick model of active inhibitors 1, 12, 19 and 28 docked in c-Src with conserved hydrophobic amino acids is shown. (B) Stick model of active inhibitors 1, 12, 19 and 28 docked in c-Abl with conserved hydrophobic amino acids is shown. (C) Alignment of hydrophobic amino acids observed at the interface of c-Src (PDB ID 1Y57), c-Abl (PDB ID 1M52) and functionally important inhibitors as listed in Table S1: (1, 12, 19 and 28). In figure (B) and (C), structure was aligned using COOT [43] and figure was made by PyMOL program.