Abstract

IN SILICO DOCKING STUDIES OF CYANURIC CHLORIDE DERIVATIVES AS INHIBITORS OF PLASMODIUM FALCIPARUM HEXOSE TRANSPORTER 1

Anju Ashokan, Ganesh Pavale, *M. M. V. Ramana

Abstract

Malaria is the leading cause of worldwide mortality with high resistance to existing drugs available in market. The Plasmodium falciparum hexose transporter 1 (PfHT1) is a promising target for antimalarial drug discovery due to its critical role in glucose uptake, which is essential for the survival of the malaria parasite during its blood stage. Thus, there is a need for safe and potent Plasmodium falciparum hexose transporter 1 (PfHT1) inhibitors which can pave the way for designing new drug molecules for malarial treatments. The present work describes the docking study of few Cyanuric chloride derivatives as Plasmodium falciparum hexose transporter 1 (PfHT1) receptor inhibitors. The designed derivatives show comparable dock scores with Primaquine and Chloroquine. The docking study reveals that the binding of Cyanuric Chloride derivatives and amino acids in the binding pocket of the Plasmodium falciparum hexose transporter 1 (PfHT1) inhibitors. The predicted ADME properties of the designed compounds are in an acceptable range.

Keywords: Molecular docking, ADME study, Cyanuric Chloride, Malaria, Plasmodium falciparum.