Phytochemical Constituents from <i>Globimetula oreophila</i> as Plasmepsin I and II Inhibitors in Antimalarial Drug Discovery: An In Silico Approach
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. T...
Saved in:
| Main Authors: | , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-11-01
|
| Series: | Chemistry Proceedings |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2673-4583/16/1/42 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | 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 <i>Globimetula oreophila</i> 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 <i>G. oreophila</i> metabolites as potent plasmepsin inhibitors, offering prospects for malaria treatment and prevention. |
|---|---|
| ISSN: | 2673-4583 |