SAR and QSAR study of antimalarial artemisinins

Artemisinins with activity against K-1 strains of P. falciparum were modeled the HF/3-21G method. To identify key features artemisinins necessary for their activities, MEP maps built and used. The PCA HCA studies showed that variables HOMO-1 energy, DM, Q1, BA, nCs are responsible separation between more active less compounds. A PLS model three principal components explaining 89% total information was 18/5 compounds in training/external validation set. As an application, we analyzed tested our to predict log RA 15 whose biological tests not performed them yet.