Ligand Based Virtual Screening Testing and Analysis for Plasmodium Falciparum

Abstract

Malaria, caused by the parasite Plasmodium falciparum, continues to pose a significant global health challenge, with drug resistance and limited treatment options exacerbating the problem. Ligand-Based Virtual Screening (LBVS) has emerged as a promising computational tool for identifying potential drug candidates. This research focuses on the application of LBVS to target essential proteins within Plasmodium falciparum and identify small molecules with inhibitory potential. A diverse dataset of ligands and advanced computational algorithms were employed to predict binding affinities and screen compounds for potential antimalarial activity. LBVS is a computational method used to identify potential drug candidates by screening large databases of molecules for those that have a high similarity to known active molecules. This is done by calculating the shape and chemical properties of the molecules and comparing them to the known active molecules. Malaria is a mosquito-borne disease caused by the parasite Plasmodium falciparum. It isa major public health problem, especially in tropical and subtropical regions. LBVS can be used to accelerate the drug discovery process by identifying potential drug candidatesmore quickly and efficiently. Keywords: LBVS, Plasmodium Falciparum, DHFR, Anti-malarial compound, Protein target.