Computational Study of Ligand Based Virtual Screening Compound against Plasmodium falciparum Cytochrome bc1

Abstract

In the pursuit of developing innovative antimalarial medications, particularly newlinetargeting the pernicious Plasmodium falciparum, computational methods have newlineassumed an increas- ingly crucial role. This thesis encompasses the application and newlineanalysis of three primary computational techniques: Ligand-based Virtual newlineScreening (LBVS), Molecular Docking, and Quantitative Structure-Activity newlineRelationships (QSAR) in the realm of antimalar- ial drug discovery. These newlinecomputational techniques were applied to 17 imaginary com- pounds, namely newlineArtemisulfate, ArteNovel, ChloroXenith, Falciparix, Falciparumidine, newlineFalciparumizine, Falciparumycin, Larvomycin, Malaricidalin, Malaricin-X, newlineMeroShield, Plasmocure-X, PlasmoGuard, Plasmoquinone, PrimaNova, newlineQuinolite and Quinomycin-P. newline newline