Docking Study, Synthesis and Evaluation of an Anti-malarial Agent

Cysteine protease Falcipain-2 (FP2), the major cysteine protease of the human malaria parasite Plasmodium falciparum, is a hemoglobinase and promising drug target.de novo designed analogue of Parasitic Cysteine Protease Inhibitors, considering chemical stock feasibility of Analogue - 2-hydroxy-5-(1-hydroxy-2-((4-phenylbutan-2-yl)amino)ethyl)benzamide.) was synthesized and evaluated for its inhibition against Plasmodium falciparum cysteine protease falcipain-2. Compound was synthesized in good yield over 95% and characterized using 1H NMR, LC and Mass spectroscopy. The molecular properties of designed compound were also studied in silico for drug-likeness assessment based on Lipinski’s rule of five. Antimalarial activity showed that, compound was showing activity against the sensitive and resistant malarial strain .Compound showing better results as per the data obtained from IC5o values. The outcome of drug-likeness experiment showed that all newly designed analogues of Cysteine protease inhibitors possess good drug-like properties, indicating their drug likeness behavior is favorable for optimal ant malarial action. Assessment of drug-likeness score further implies the suitability of hybrid derivatives as drug-like molecules.