Phytochemical Constituents from Globimetula oreophila as Plasmepsin I and II Inhibitors in Antimalarial Drug Discovery: An In Silico Approach
Dauda Garba, Bila Hassan Ali, Bashar Bawa, Abdullahi Maryam, Hamza Asmau Nasiru, Yahaya Mohammed Sani, Mohammed Garba Magaji, Musa Ismail Abdullahi, Aliyu Muhammad Musa, Hassan Halimatu Sadiya · 2024
Malaria remains a critical global health challenge, particularly affecting Sub-Saharan Africa. Plasmepsins, vital in hydrolyzing peptide bonds within proteins, present promising targets for antimalarial drugs. Plasmepsins I and II, key aspartic proteases, are crucial in various parasite processes. This study investigates the inhibitory properties of quercetin, quercetrin, dihydrostilbene, 4′-methoxy-isoliquiritigenin, and stigmasterol from Globimetula oreophila on plasmepsins through in silico techniques, including ADME predictions and molecular docking. Results reveal strong interactions of these compounds with active site residues, with quercetrin and stigmasterol displaying notable binding affinities. These findings suggest the potential of G. oreophila metabolites as potent plasmepsin inhibitors, offering prospects for malaria treatment and prevention.