DOCKING STUDY OF MARKETED ANTIMALARIALS ON PLASMODIUM FALCIPARUM DIHYDROFOLATE REDUCTASE (Pf DHFR)

Abstract

Malaria is one of the most pivotal parasitic diseases in humans and the malarial parasite transmission in above 100 countries of a population of five million people. In this study, we selected marketed antimalarial drugs hydroxychloroquine, artemisinin and primaquine and performed docking study using Auto Dock on Plasmodium falciparum dihydrofolate reductase (PfDHFR). Docking study suggested about the binding of the drugs at the active site. Docking study also demonstrated about the potency of the drug and their binding affinity with the target. Different binding modes of marketed drugs were observed with different amino acid interactions with different features like hydrophobic, hydrogen bonding, and van der Waals interactions. The least binding energy interaction structures were selected to observe the dock pose of drugs at the active site of PfDHFR.