Exploring QSAR for antimalarial activities and drug distribution within blood of a series of 4-aminoquinoline drugs using genetic-MLR

Malaria has been one of the most significant public health problems for centuries. qsar modeling of the antimalarial activity and blood-to-plasma concentration ratio of chloroquine and a new series of 4-aminoquinoline derivatives were developed using genetic algorithms with multiple linear regression (ga-mlr) method. we obtained two different models against chloroquine-sensitive (3d7) and chloroquine-resistant (w2) strains of plasmodium falciparum with good adjustment levels. drug distribution in blood,defined as drug blood-to-plasma concentration ratio (r b),is related to molecular descriptors. leave-many-out (lmo) and y-randomization methods confirmed the models' robustness. © 2013 amir najafi et al.