Prediction and Comparison of Drug likeliness properties of Primaquine and its structural analogues using In-Silico ADME and Toxicity Prediction Tools

Five primaquine (PQ) analogues have been isolated by peroxydisulfate oxidation and were tested for antimalarial activity against Plasmodium yoelli infected mice. To develop them as promising antimalarial agents in-silico druglikeness studies were carried out. The analogue 6-Methoxy-5,8-di-(4-amino-1-methylbutyl-amino)-quinoline [P1] was found to be promising antimalarial agent as it was found nontoxic in in-silico studies and obeys all druglikeness rules. The drug likeliness properties of primaquine analogues were determined using various in-silico tools like ADMETPredictorTM, QikProp, Molinspiration and Osiris drug like property calculators. Each in-silico study supported the drugability of analogue P1. Result of in-silico studies shows that analogue P1 is safer and can be a drug of choice for radical cure of malaria infection.