LIGAND-BASED VIRTUAL SCREENING OF FDA-APPROVED DRUGS TO IDENTIFY NEW INHIBITORS AGAINST LACTATE DEHYDROGENASE ENZYME OF MALARIA PARASITES
Journal: International Journal of Applied Pharmaceutics
Year: 2024

Objective: The aim of this study is to computationally repurpose FDA-approved drugs as potential inhibitors of the Plasmodium falciparum lactate dehydrogenase (PfLDH) by competing with the cofactor NADH. Methods: In this in silico study, we have virtually screened a library of FDA-approved drugs for structural similarity to the dihydro nicotinamide adenine dinucleotide (NADH). Then, the top hits were further assessed for clinical safety and by application of molecular docking and dynamics simula