4-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS: MOLECULAR DOCKING STUDI
Mukesh Kumar Kumawat, MANOJ KUMAR SHARMA, Sumit Tewatia · UTTAR PRADESH JOURNAL OF ZOOLOGY · 2021
Malaria is a parasite disease that can be lethal and is carried by mosquitoes. Scoring techniques that can evaluate intermolecular binding affinity or binding free energy are used to optimise and rank the molecular docking process. 15 variants of 4-aminoquinoline were docked in the binding pocket of the Oxidoreductase protein using the docking server's Ligand fit module (1ldg.pdb). The results demonstrated that the binding energies of compounds (N-(2-amino propyl)-7-chloro-quinoline-4-amine), (3-(3-(7-chloroquinolin-4-yl amino)propyl)-2-phenyl-1,3thiazinan-4-one), and (3-(3-(7-chloroquinolin -4-ylamino)propoyl)-2-(4-nitrophenyl)-1,3thiazinan-4-one). As a result, three of the fifteen compounds will effectively combat various plasmodium strains. Future attempts by other researchers to produce new antimalarial drugs may benefit from additional study to synthesise these powerful compounds and assess their performance.