Structural requirements of 3-carboxyl-4(1H)-quinolones as potential antimalarials from 2D and 3D QSAR analysis
Robust and predictive models were built by using MLR, CoMFA and CoMSIA methods. Position R1: A small hydrophobic electro-donating group benefits the bioactivity. Position R2: A hydrophobic and electronegative atom is expected, especially halogen. Position R4: Important to the solubility, an electro-withdrawing group is expected. Position R5: A bulky connected with benzene by an electro-donating atom is preferred.
antimalarial mlr comfa comsia 4(1h)-quinolones