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Table 3 Binding energy (Affinity) estimated by AutoDock Vina (PDB: 2bmc)

From: Design, synthesis, anticancer evaluation and docking studies of novel 2-(1-isonicotinoyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylthiazolidin-4-one derivatives as Aurora-A kinase inhibitors

Comp R R1 Affinity (kcal/mol) Log p HBD HBA PSA MR
P-6 NO2 4-OCH3 − 16.7 2.71 0 7 118.24 133.33
P-20 Br 4-OCH3 − 14.8 3.55 0 5 75.10 134.64
VX-680    − 25.6 4..87 3 7 49.46 136.36