Research Article

Receptor Guided 3D-QSAR: A Useful Approach for Designing of IGF-1R Inhibitors

Table 3

Statistics of different PLS analysis after region focusing. (GS: geometrical scheme; SE: standard error of estimate; n.: number of components; : Fischer’s value for test of significance; : coefficient of determination after 100 bootstrapping runs; SD: standard deviation; Field contribution: (S) steric field, (E) electrostatic field, (H) hydrophobic field, (D) H-bond donor field, and (A) H-bond acceptor field.).

AnalysisGSFieldGrid spacing n. SE SD

CoMFALBS0.5 Å0.5950.8440.410.2340.890.110.65
CoMFALBE0.5 Å0.132
CoMFALB0.57S/0.43E0.5 Å0.5640.8449.620.2350760.130.68
CoMFALBS1.5 Å0.2510.3623.400.450
CoMFALBE1.5 Å 0.031
CoMFALB0.35S/0.65E1.5 Å0.3820.5121.200.40
CoMFARGS0.5 Å0.4140.7123.470.315
CoMFARGE0.5 Å0.4270.8733.110.220
CoMFARG0.47S/0.53E0.5 Å0.5560.9497.780.1450.960.020.67
CoMFARGS1.5 Å0.4440.6517.930.345
CoMFARGE1.5 Å0.1140.263.320.505
CoMFARG0.45S/0.50E1.5 Å0.2930.6018.990.370