Drugs and Drug Candidates
Deciphering Emodin as an Antimalarial Lead Through Integrated Molecular Modeling and Experimental Validation
Por Moyosoluwa Precious Oyewole, Ikponmwosa Owen Evbuomwan, Faith Eniola Olujinmi y 6 más.
Contenido en inglés
Resumen
Background
Malaria remains a major global health burden, further exacerbated by the rapid emergence of Plasmodium strains resistant to frontline antimalarial therapies. This has necessitated the search for alternative sources of therapy.
Methods
Here, we demonstrated the antiplasmodial potential of emodin through an integrated computational and experimental approach. Emodin was retrieved from the PubChem database and subjected to molecular docking against key P. falciparum regulatory and metabolic enzymes PfCDPK1, PfCDPK2, PfCDPK4, PfHK, and PfLDH.