The authors are suggested to use some decoy ligands and calculate the enrichment value in order to justify the docking protocol followed by ALA scan (Alanine scanning) based MD experiments.
13C NMR (100 MHz, DMSO-d6, ppm): 159.44 (C=O), 154.55 (Ar-C), 148.91 (Ar-C), 143.22 (-C=N-), 140.48 (Ar-C), 130.06 (Ar-C), 129.44 (Ar-C), 128.20 (Ar-C), 125.75 (Ar- C), 15.32 (-CH3).