Study on anti-tumor activity of novel 3-substituted 4 anilino-coumarin derivatives using quantitative structure-activity relationship (Qsar)

Study on anti breast cancer activity of 3-substituted 4-anilino coumarin derivatives by using quantitative structure-activity relationship (QSAR) has been performed. The structures and the activity data were literatured from Guoshun et al. experiment. The molecular and electronic molecule properties were obtained from DFT/BPV86 6-31G method calculation after was through methods validation. The QSAR analysis were shown by Multi Linear Regression method (MLR). The best model of obtained for 3-substituted 4-anilino coumarin derivatives is: Log IC50 = 5.905 + (0.936 x qC1) + (-8.225 x qC8) + (-0.582 x qC13) + (11.273 x qC15) + (0.869 x â��E); n = 26; r² = 0.704; Fcal/Ftab = 2.462; SEE = 0.184. © 2019 Trans Tech Publications Ltd, Switzerland.